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# Complex Dynamical Flow Phases and Pinning in Superconductors with Rectangular Pinning Arrays

## I Introduction

Vortex pinning in systems where defects are arranged in periodic arrays are an ideal system in which to study optimal pinning arrangements and commensurability effects since the properties of the pinning sites, such as the size, periodicity of the array, and array geometry, can be highly controlled. These arrays can be fabricated using nano-lithography techniques in which periodic arrangements of micro-holes  or magnetic dots  of various geometries can be constructed. A more recent technique is the use of Bitter decoration where the magnetic particles used for the initial decoration can act as well ordered arrays of pinning . In these systems commensurability effects can be observed in the form of peaks in the critical current at fields where the number of vortices equals an integer or a fraction of the number of pinning sites. At these commensurate fields the vortices can form a highly ordered lattice where vortex-vortex interactions which reduce the effective pinning are minimized, while at incommensurate fields the vortex lattice can be disordered and vortex-vortex interactions make the pinning less effective. Direct imaging of vortex structures with square pinning arrays have been conducted with Lorentz microscopy  and scanning Hall-probes  which have confirmed that the vortices form highly ordered crystals at the integer and some fractional matching fields. These images along with simulations  have also shown that at the different matching fields different types of ordered vortex crystals can be stabilized. In the samples imaged by Harada et al.,  it was found that beyond the first matching field all the pinning sites are occupied with a single vortex and that the additional vortices sit in the interstitial regions. The particular vortex lattice symmetry found at the second matching field was square; at the third matching field there was an ordered lattice with alternating pairs of interstitial vortices; while at the fourth matching field the overall lattice was triangular. The same types of ordered vortex lattice crystals were also seen in simulations with square pinning arrays and additional types of stable vortex crystals were observed for triangular pinning arrays . Recent scanning Hall-probe experiments  have found various ordered rational fractional fillings less than the first matching field and have also shown that for fields greater than the first matching field, vortices can have both multiple occupancy per pinning site as well as vortices that are located in the interstitial regions.

Most experimental studies of vortex matter interacting with periodic pinning have considered square and triangular pinning lattices. Some recent studies, however, have been performed with Kagome pinning arrays, which produced pronounced matching effects at non-integer matching fields . Periodic arrangements with rectangular geometries of magnetic dots  and holes  have also been studied recently. In these systems there can be two periodicities associated with the two sides of the rectangular cell, $`a`$ and $`b`$. In experiments with magnetic dots  a field dependent crossover in the commensurability effects was observed. Sharp low field matching effects occurring at every integer matching field were found to cross over to much broader matching effects occurring at fields where the vortex density matches with the periodicity of the short side of the rectangular pinning array. In these systems one would expect an anisotropic response, with a lower pinning or easy flow direction through the wide end of the rectangular cell since the flow of interstitial vortices will be less impeded by the vortices pinned by the dots. Additionally one would still expect an anisotropic response due to increased vortex-vortex interactions along the short end of the cell at the incommensurate fields which will lower the pinning force for fields less than the first matching field, as well as for fields greater than the first matching field when multiple occupancy per pinning site occurs. Recent magneto-optical imaging experiments in samples with rectangular pinning arrays have found evidence for anisotropic vortex flow . Anisotropic pinning has also been observed in related systems where the individual pinning sites have an anisotropic geometry .

In square pinning arrays recent simulations have shown that a remarkable number of distinct dynamical phases are possible when the number of vortices is larger than the number of pinning sites. These phases include one-dimensional flow of interstitial vortices, random plastic flow, soliton-like flow along the pinning sites, and coherently moving elastic flow phases . Other simulations of vortices in systems with periodic pinning arrays have also observed transitions from different types of plastic flow to elastic flow

Experiments and simulations have also examined the pinning and dynamics of vortices through thin channels , where the vortices moving through the channels experience a periodic potential created by the ordered lattice of vortices that are immobile outside of the channels. Peaks in the critical current are observed where the vortices in the channel can form a commensurate ordering. Additionally simulations  have shown that a wide variety of dynamical phases occur such as soliton like flow, and a periodic winding motion of vortices.

Experimentally, evidence for the flow of interstitial vortices in samples with periodic pinning arrays where individual pinning sites are small has been observed in transport measurements and current-voltage curves . Shapiro steps for the 1D flow of interstitial vortices between pinning sites with an AC and DC applied driving has been observed in experiments  and simulations . Direct imaging of vortices using Lorentz microscopy has demonstrated the 1D flow of interstitial vortices between pinning sites as well as pulse-like motion of vortices along pinning sites and between the pinning sites. The pulse or soliton flow of vortices along the symmetry directions of the pinning arrays has also been observed with magneto-optical imaging .

In systems with random pinning under an applied driving force the vortex lattice can exhibit different types of transport behavior such as plastic flow, where the vortex lattice is highly disordered or liquid like and a portion of the vortices can remain immobile while other portions can tear past. There can also be elastic flow where the moving vortices keep the same neighbors and the overall lattice structure can have a crystalline or smectic order. As a function of applied driving force transitions or crossovers can occur between different flow phases. Evidence for such transitions has been observed in transport measurements , voltage noise , neutron scattering , Bitter-decoration , and STM  and simulations . These moving phases have also been studied theoretically .

In this work we present the results of simulations for vortices in 2D superconductors interacting with square and rectangular pinning arrays. In particular we examine the pinning characteristics and the dynamical states. In previous simulations  only square and triangular pinning arrays were examined and the dynamical flow states were only examined in detail for filling fractions less than $`2.25`$. In addition previous simulations calculated the magnetization curves but did not calculate the depinning force directly from current-voltage curves. Here, we examine anisotropic pinning by considering rectangular pinning arrays for $`a/b=2,1.6`$, and $`1`$ under applied driving. We have also calculated analytically the critical currents in the $`a`$ and $`b`$ direction at the second matching fields as a function of $`a/b`$ and find that the critical current is optimal not for $`a/b=1`$ but for a rectangular geometry when driven in certain directions. For square pinning arrays we find much more pronounced matching effects at integer and fractional matching fields for low applied fields; however, for higher fields the matching effects are reduced and certain peaks are absent, in agreement with recent experiments . For rectangular arrays with $`a/b=2`$ we find that the shape and strength of the commensurability effects at the matching fields depends on whether the driving is in the $`a`$ or $`b`$ direction. The depinning force is much higher along the long direction. We also find evidence for a crossover in the commensurability effects at high fields. Images of the vortices in the rectangular pinning array show that highly ordered vortex crystals are stabilized at the matching fields where a peak in the depinning force is observed, while more disordered crystals are formed at the matching fields where peaks are not observed.

Under an applied driving force we show that a remarkable variety of complex dynamical phases emerge in square and rectangular arrays. These phases depend strongly on the geometry of the pinning lattice. Despite the complexity of these dynamic phases two general classes of flow can be identified. The first is elastic flow of a mobile sub-lattice of interstitial vortices between pinned vortices with the vortex motion in stable well defined patterns. The other type of flow is a chaotic or mixing flow where the interstitial vortex motion is disorderly. The moving channels show a mixing effect, in that the vortices from one channel move to other channels. The stable, non-mixing flow phases occur only for certain integer matching fields and rational machining fields. As a function of applied driving force dynamical transitions between different types of flow states are possible which coincide with features in the driving force versus velocity curves or voltage-current curves which can be detected experimentally.

## II Simulation

We simulate a thin superconductor where the vortices can be considered as 2D objects interacting with a logarithmic potential, $`u_v=\mathrm{ln}(r)`$, where energy is normalized to $`A_v=\mathrm{\Phi }_0^2/8\pi \mathrm{\Lambda }`$, $`\mathrm{\Phi }_0`$ being the flux quantum and $`\mathrm{\Lambda }`$ the effective 2D penetration depth for a thin film superconductor. The normalized overdamped equation of motion for a vortex $`i`$ is

$$𝐟_i=\frac{d𝐫_i}{dt}=𝐟_i^{vv}+𝐟_i^{vp}+𝐟_d=𝐯_i.$$
(1)
The normalized force on vortex $`i`$ from the other vortices is $`𝐟_i^{vv}=_{ji}^{N_v}_iU_v(r_{ij})`$, where $`U_v(r_{ij})`$ is the effective, re-summed, vortex-vortex potential between two vortices in a computational cell with periodic boundary conditions . Pinning is modeled as attractive parabolic wells with

$$𝐟_i^{vp}=(f_p/r_p)\mathrm{\Theta }(r_p|𝐫_i𝐫_k^{(p)}|)\widehat{𝐫}_{ik}^{(p)}.$$
(2)
$`\mathrm{\Theta }`$ is the Heaviside step function, $`𝐫_k^{(p)}`$ is the location of pinning site $`k`$, $`f_p`$ is the maximum pinning force, $`\widehat{𝐫}_{ik}^{(p)}=(𝐫_i𝐫_k^{(p)})/|𝐫_i𝐫_k^{(p)}|`$, and $`r_p`$ is the radius of the pinning sites. The pinning sites are placed in a rectangular array ($`nL_x,mL_y`$), where $`n`$ and $`m`$ are integers. The characteristic length, by which all lengths are normalized, is chosen to be $`r_0=\frac{10}{3}r_p`$. In a typical experiment $`L_x=400900`$ nm and the pinning radius is $`125`$ nm. The characteristic time in the normalized equation of motion is $`\tau =\eta r_p^2/A_v`$, where $`\eta `$ is the Bardeen-Stephen friction. The equation of motion is numerically integrated by an Euler method using a normalized time step of $`dt=0.02`$.

The initial vortex positions are obtained from annealing by a high temperature, where we add a Langevin noise term $`𝐟_i^T`$ to equation (1) such that $`𝐟_i^T=0`$ and $`𝐟_i^T(t)𝐟_j^T(t^{})=4T\delta _{ij}\delta (tt^{})`$, where $`T`$ is the temperature normalized to $`A_v/k_B`$, $`k_B`$ being the Boltzmann constant. We choose an initial temperature high enough such that the vortices are in a molten state and cool to $`T=0`$ in 20 increments where we allow 20000 time steps between each increment. After annealing, the driving force is slowly increased from $`f_d=0`$ and the vortex positions and velocities are monitored using $`V_x=_i^{N_v}\widehat{𝐱}𝐯_i`$ and $`V_y=_i^{N_v}\widehat{𝐲}𝐯_i`$. In this work we consider simulations where the driving is only in the $`x`$-direction or $`y`$-direction. The depinning force is defined as the force at which the vortex velocities reach $`0.03f_d`$.

## III Critical Force at $`B=2B_\varphi `$

We first consider analytically the depinning threshold in the case of the vortex lattice driven in the $`x`$ or $`y`$ directions at $`B=2B_\varphi `$ for arbitrary $`L_x`$ and $`L_y`$. At this filling fraction the vortex lattice consists of the vortices at the pinning sites along with well ordered interstitial vortices located between the vortices at the pinning sites. We make the assumption that the unpinned vortices form a perfect rectangular lattice, so that they effectively do not interact due to symmetry. With this assumption we need to consider only the depinning of a single interstitial vortex moving in the periodic potential created by the vortices at the pinning sites. The vortex will move one-dimensionally along the direction of the drive and experience the periodic potential created by the vortices at the pinning sites.

$$\frac{dx_i}{dt}f_i^{vv}(x_i,y_i)=f_d.$$
(3)
The vortex-vortex interaction term $`f_i^{vv}(x,y)`$ can be calculated using the re-summation method for logarithmically interacting particles in 2D ; the resulting equation of motion for an interstitial vortex ($`i`$) moving at $`y_i=\frac{1}{2}L_y`$ along the $`x`$-direction is:

$$\frac{dx_i}{dt}\frac{\pi }{L_x}\underset{k=\mathrm{}}{\overset{\mathrm{}}{}}\frac{\mathrm{sin}(2\pi \frac{x_i}{L_x})}{\mathrm{cosh}\left(2\pi \frac{L_y}{L_x}(k+\frac{1}{2})\right)\mathrm{cos}(2\pi \frac{x_i}{L_x})}=f_d.$$
(4)
The maximum depinning force will occur when the summation term is maximum. In the limit of $`L_yL_x`$, this happens for $`x_i=\frac{3}{4}L_x`$, and the resulting critical force is,

$$f_x^c=\frac{2\pi }{L_x}\mathrm{sech}(\pi \frac{L_y}{L_x}).$$
(5)
This expression is accurate for $`L_x\stackrel{<}{}1.5L_y`$ (the error is about 0.2% for $`L_x=L_y`$ and about 5% for $`L_x=2L_y`$). By symmetry, we trivially write the corresponding critical force in the y-direction, for $`L_xL_y`$, to be given by,

$$f_y^c=\frac{2\pi }{L_y}\mathrm{sech}(\pi \frac{L_x}{L_y}),$$
(6)
which is then accurate for $`L_y\stackrel{<}{}1.5L_x`$.

In figure 1 we plot the critical force in the $`x`$-direction and $`y`$-direction from equations (5) and (6) where $`L_y`$ is kept at a fixed value of $`2.0`$ and $`L_x`$ is varied from $`4.0`$ to $`1.25`$. For all increasing $`L_y/L_x`$ the critical force in the x-direction is reduced. This can be understood by considering that the pinning of the interstitial vortices is caused by the interactions with the vortices at the pinning sites. With no driving an interstitial vortex will sit in the center of the rectangle where the forces from the vortices at the pinning sites cancel. For decreasing $`L_y/L_x`$, the interstitial vortices will have to move through a narrower channel between vortices at the pinning sites in the y-direction so the interaction between the interstitial vortices and the pinned vortices will increase. For driving along the $`y`$ direction, for $`L_y/L_x`$ decreasing from 1, the critical force is reduced. This can be understood by considering that as $`L_x`$ is reduced the interstitial vortex interactions with the pinned vortices in front of the interstitial vortices and those behind will increasingly cancel. As $`L_y/L_x`$ is increased from $`1`$ the opposite occurs with the interaction of the vortices that push on the interstitial vortices becoming reduced.

Experimentally the behavior of the critical currents as predicted from equations (5) and (6) can also be used to determine whether interstitial vortices are present at $`B/B_\varphi =2`$ as opposed to multiple vortices at individual pinning sites. In the case of multiple vortices at the pinning sites the depinning force would be independent of the ratio of $`L_y/L_x`$ since the depinning force will not be determined by the interactions between the vortices due to the symmetry of the overall multi-vortex lattice, but will instead be determined from the strength of the pinning site only. We also show in Fig. 1 the simulation results for the square ($`L_y/L_x=1.0`$) and rectangular cases ($`L_y/L_x=2.0`$ and $`L_y/L_x=0.5`$) for driving in the $`x`$ and $`y`$ directions showing excellent agreement with the predicted values.

Another experimental signature of interstitial vortices is the strong difference in the critical force between the $`x`$ and $`y`$ directions at $`L_y=2L_x`$. The critical force in the $`y`$ direction is already more than 50 times higher than the critical force in the $`y`$-direction. Even experiments with a relatively small anisotropy ratio such as $`L_y/L_x=1.25`$ should see $`f_c^x/f_c^y3`$.

These results also show that the maximum pinning can be achieved not with square arrays but with rectangular arrays. This enhancement is only for one of the directions of driving. Figure 1 shows that the depinning force for $`L_y=2L_x`$ in the $`y`$-direction is about $`2.5`$ times higher than for the square case. In practice the ratio of $`L_y/L_x`$ has a finite range in which it can be varied due to the finite size of the pinning sites.

We note that we could calculate analytically the depinning force only at $`B=2B_\varphi `$, or for any other $`B`$ values where the interstitial-interstitial vortex interactions effectively cancel. However, away from the $`B`$ values leading to high symmetry interstitial configurations, the depinning forces should still be anisotropic. The depinning force for an interstitial vortex near a single interstitial vacancy will be reduced from its value at $`B=2B_\varphi `$ by a quantity $`1/L_x`$ if driven in the $`x`$ direction and $`1/L_y`$ if driven in the $`y`$ direction since the vortex-vortex force goes like $`1/r_{ij}`$. Similar arguments for an anisotropic depinning force can be made for additional interstitial vortices added to the $`B=2B_\varphi `$ vortex configurations.

## IV Dependence of Depinning Force on $`B/B_\varphi `$ in a Square Array

In Fig. 2 we show the dependence of the critical depinning force as a function of $`B/B_\varphi `$ for a system with a square pinning array. Here sharp peaks in $`f_p^c`$ can be seen at $`B/B_\varphi =1,2,3,4`$, and $`5`$. Smaller peaks are seen for $`B/B_\varphi =6`$ and $`8`$. At $`B/B_\varphi =7`$ there is no evidence for a peak. Another interesting feature is that for $`6<B/B_\varphi <8`$ the critical force remains at an intermediate value which is higher than the lowest critical current values for $`B<5B_\varphi `$. This is a similar trend to that observed by Metlushko et al.  who claim that interstitial vortices are present for $`B/B_\varphi >1`$ due to the small size of the pinning sites. The peaks observed in Fig. 2 are much stronger then those observed in magnetization measurements in simulations with flux-gradient driven vortices with short range interactions . In that work commensuration enhancements were not seen at $`B/B_\varphi =3,6`$, or $`7`$. The vortex configurations observed at the matching fields are the same as those for Ref . Another feature in Fig. 2 is that the height of the peaks for $`B<5B_\varphi `$ shows variations with the largest peak at $`B=4B_\varphi `$ when the vortices form a triangular lattice as seen in simulations and experiments. Some experiments with square and magnetic dots have observed strong matching effects at every matching field  suggesting the presence of multi-vortex states in these systems. The inset of Fig. 2 shows the depinning curve for a system with the same parameters as Fig. 2, but with the pinning sites in a random arrangement. Here the depinning force decreases with increasing field and there are no peaks at the matching fields.

In Fig. 2 commensurability peaks at the fractional fields $`1/2,3/2`$, and $`5/2`$ can also be observed. Peaks in the critical current at fractional $`B/B_\varphi `$ have been seen in experiments with particularly pronounced peaks at $`1/2`$ and $`3/2`$ while weaker peaks were seen at $`1/4,1/5`$, and $`1/16`$ . The vortex configurations and dynamics at fractional matching fields are studied in detail elsewhere. We do not observe any particular fractional matching except at $`B/B_\varphi =8.5`$ where a clear peak in the critical current is observed. Such a commensuration peak has not been seen in previous simulations or experiments. In section V (c) we show that a stable non-mixing flow state occurs at this field.

## V Dynamical Flow States for Square Pinning Arrays

### A 1D Flow States at $`B/B_\varphi =2,4`$ and $`9`$

Figure 3(a) shows the flow states just above depinning for $`B/B_\varphi =2`$ where the motion consists of the straight 1D flow of interstitial vortices between the pinned vortices. This type of flow was also seen in simulations at the same field for vortices with bulk interactions. In Fig. 3(b) for $`B/B_\varphi =4`$ a similar 1D straight vortex flow is observed. Here the vortices at the pinning sites also remain pinned and there are additional interstitial vortices located between the pinning sites in the $`x`$ direction that also remain pinned. The mobile interstitial vortices can move in a straight unhindered 1D path while the immobile interstitial vortices cannot move in 1D paths without entering a pinning site or coming close to the vortices located in the pinning sites. In Fig. 3(c) at $`B/B_\varphi =9`$ the same type of 1D interstitial flow as in Fig. 3(a) and Fig. 3(b) is observed but in this case there are two mobile rows of vortices between the pinning sites and two immobile interstitial vortices between vortices at the pinning sites. In Fig. 3(a,b,c) the vortex motion can be seen to be elastic with respect to the mobile vortices in which the moving vortices keep their same moving neighbors. Further, the vortices always flow in the same paths. At fields with a fraction of $`0.05`$ higher or lower than the matching fields in Figs. 3(a,b,c) the initial vortex motion occurs at the location of the extra vortex or vacancy in the ordered interstitial lattice. The depinning occurs at a lower driving force than that at which the commensurate vortex configuration depins. The flow of these extra interstitials or vacancies will again be in a 1D path along the direction of drive; however, the motion is not continuous but occurs in a soliton or pulse fashion with the extra interstitial or vacancy exchanging places with pinned vortices as it propagates. A similar soliton like motion of vortices along the pinning sites has also been observed previously in simulations  and experiments .

### B Sinusoidal Flow States At $`B/B_\varphi =5,8`$, and $`8.5`$

In Fig. 4(a) we show the flow states at $`B/B_\varphi =5`$ which shows sinusoidal flow states of the interstitial vortices. Here the vortex motion is not strictly 1D in the direction of drive but shows a periodic motion in the transverse direction as well. In addition the vortices flow in the same paths and vortices from one channel do not mix with vortices in the other channels. In Fig. 4(b) a similar sinusoidal flow as seen at $`B/B_\varphi =5`$ is observed with an additional square sub-lattice of pinned interstitial vortices at the center of the pinning plaquette similar to the vortex configuration at $`B/B_\varphi =2`$. For higher drives the immobile interstitial vortices depin and the vortex lattice enters a new flow phase. In Fig. 4(c) for $`B/B_\varphi =8.5`$, where a small peak in the critical current is seen, an interesting flow state is observed where there is a pinned interstitial lattice for every other interstitial vortex in the middle of the pinning array plaquette. Additionally there are two immobile vortices between pinning sites in the $`x`$-direction. The vortex flow is a combination of 1D flow and sinusoidal flow with the sinusoidal flow occurring at every other plaquette containing a pinned interstitial vortex.

### C Bistable Flow States in the Vicinity of $`B/B_\varphi =3`$

Fig. 5(a,b) shows typical vortex flow patterns observed for fields $`2.75<B/B_\varphi <3.5`$. Here the interstitial vortices move in periodic meandering paths around the pinned vortices. Interestingly the direction of the vortex flow is not in the direction of the driving force but at 45 degrees in either transverse direction. Since either direction is equivalent the flow jumps between the two states as seen in the measured transverse $`V_y`$ velocities. In Fig. 6, $`V_y`$ shows a small amplitude periodic component caused by the winding nature of the vortex flow, along with low frequency large amplitude jumps of $`V_y`$ from positive to negative indicating that the net vortex motion direction is changing. For different system sizes the characteristic of the flow paths remains the same. Experimentally this flow state can be observed with transverse noise measurements. For stronger drives there is a transition to a more disordered flow in the direction of the driving force.

### D Disordered Vortex Flow States and Noise

In Fig. 7(a,b,c) we show the vortex flow states at various incommensurate fields showing varying degrees of disordered or mixing flow states. In Fig. 7(b) the vortex trajectories for $`B/B_\varphi =4.95`$ are plotted showing that the general features of the stable channel flow from $`B/B_\varphi =5`$ are still present. There are, however, now some vortices that can be seen to jump between adjacent channels. In Fig. 7(a) for $`B/B_\varphi =4.5`$ the vortex trajectories are more disordered and no discernible preferred channels are visible. This same type of flow is seen for $`B/B_\varphi =5.5`$. There are regions near the pinning sites where repulsion from the vortices located in the pinning sites keeps other vortices from approaching closer than a certain distance. In Fig. 7(c) we show the vortex trajectories for $`B/B_\varphi =7`$ showing that the disordered flow is again similar to what was seen at $`B/B_\varphi =4.5`$. We note that this is the matching field at which a peak was absent in the depinning force. In general we observe that the non-mixing flows occur only near certain integer or fractional matching fields where the initial pinned vortex lattice has an ordered state. The flows then become increasingly disordered as the fields move away from these matching configurations.

To further compare the experimentally measurable noise signals of the ordered and disordered vortex states we plot in Fig. 8 the time series and the corresponding Fourier transforms (FT’s) of the average vortex velocity $`V_x`$ for a fixed applied driving force. Each data set is analyzed for 30,000 MD steps. In the figures we only show a portion of the time series for clarity. For $`B/B_\varphi =4`$ (Fig. 8(a,b)), where the flow was seen to occur in 1D channels as seen in Fig. 3(b), only a single periodic component and higher harmonics can be seen. For $`B/B_\varphi =4.5`$ (Fig. 8(c,d)) where the flow was disordered as seen in Fig. 7(a), a more random noise signal is observed and the FT shows a broad spectra. At $`B/B_\varphi =5`$ (Fig. 8(e,f)) where an ordered flow state was observed as seen in Fig. 4(a), a clear single frequency signal is again observed. In Fig. 9 we show the time series and FT for $`B/B_\varphi =3`$ where more complicated vortex trajectories were observed as seen in Fig. 5(a,b). Here the signal shows several different periodicities. In general we find periodic signals where orderly or partially ordered flows are observed, and broad noise spectra where incommensurate or disorderly flows occur.

### E Longitudinal and Transverse Noise

In Fig. 10(a,b) we show the time series for both the sum of the velocities in the $`x`$-direction and $`y`$-direction simultaneously for (a) $`B/B_\varphi =4`$ and (b) $`B/B_\varphi =5`$. For $`B/B_\varphi =4`$ longitudinal velocities show the periodic signal as shown earlier while the transverse velocities are zero as the vortices are moving strictly in the $`x`$-direction in 1D channels as seen in Fig. 3(b). For $`B/B_\varphi =5`$ both the longitudinal and transverse velocities show a pronounced periodic signal as the vortex trajectories show a sinusoidal flow as seen in Fig. 4(a). These results suggest that the features of the flow, such as whether it is winding in the transverse direction or strictly 1D, can be probed experimentally with transverse noise measurements. The periodic time signals at the matching fields can also be probed with an applied AC drive superimposed on a DC drive. Shapiro steps can be observed, as recently determined in experiments and simulations at $`B/B_\varphi =2`$. Where the vortex flows are highly ordered one would then expect Shapiro steps , while at the disordered flow states the phase-locked steps would be absent or strongly reduced.

## VI Dependence of Depinning Force on Field For Rectangular Pinning Arrays

### A Rectangular Pinning Array with $`L_x/L_y=2`$

In Fig. 11(a,b) we show the dependence of the critical depinning force on $`B/B_\varphi `$ for systems with similar parameters as studied for the square array with $`L_x=2L_y`$ for driving in the $`x`$-direction and $`y`$-direction. Here $`f_x^c`$ is much higher than $`f_y^c`$ for all $`B>B_\varphi `$. For $`B/B_\varphi <6`$ commensurability peaks are observed for driving in both the $`x`$ and $`y`$ directions; however, the peaks in the $`x`$-direction do not show the sharpness of the peaks seen for the $`y`$-direction. The peaks for both driving directions are much broader for $`B/B_\varphi >5`$. There are no clear peaks at $`B/B_\varphi =7`$ or $`9`$; however, there is some evidence for a drop-off in the depinning force right after these fields.

### B Vortex Configurations for $`L_x/L_y=2`$

In Fig. 12(a-i) we show the vortex configurations for the various matching fields. The vortex configurations at $`B/B_\varphi =1`$ and $`2`$ (Figs. 12(a,b)) are rectangular in order. For $`B/B_\varphi =3`$ (Fig. 12(c)) the vortex crystal has a diagonal ordering. At $`B/B_\varphi =4`$ (Fig. 12(d)) a square vortex lattice is stabilized. At $`B/B_\varphi =5`$ (Fig. 12(e)) the vortex lattice does not form a simple rectangular lattice but an ordering is still present as indicated by the unit cell. We note that at $`B/B_\varphi =5`$ a peak or anomaly in the depinning force is not observed. For $`B/B_\varphi =6`$ and $`8`$, ordered distorted hexagonal vortex lattices are stabilized. At $`B/B_\varphi =7`$ and $`9`$ the vortex lattice is disordered which again corresponds to there being no peaks in the critical depinning force. These results indicate that at the matching fields where an ordered lattice with a simple rectangular or hexagonal ordering can occur, an enhancement in the critical current can be observed.

## VII Dynamical Flow States for Rectangular Pinning Arrays

In Fig. 13(a-f) we show the flow states at depinning in the rectangular arrays for $`B/B_\varphi =2,3,4,5,6`$, and $`9`$, respectively, for driving along the long side or $`x`$-direction. 1D flows that are similar to those seen in the square arrays occur for $`B/B_\varphi =2`$ and $`6`$ (Fig. 13(a) and Fig. 13(e)). Disordered flow phases occur for $`B/B_\varphi =3`$, $`4`$ and $`9`$ (Fig. 13(b), Fig. 13(c) and Fig. 13(f)) where only minimal anomalies were seen in the depinning force. A disordered phase is also observed for $`B/B_\varphi =7`$ (not shown) where there was again no anomaly in the depinning force. An ordered flow phase is observed for $`B/B_\varphi =8`$ which is described in the next section where a peak in the depinning is observed. At $`B/B_\varphi =5`$ (Fig. 13(d)), where a static ordered lattice was stabilized but an anomaly in the depinning force was not observed, we find an interesting periodic winding flow of interstitial vortices. Also pairs of immobile interstitial vortices are located between every other pair of pinning sites.

### A Pinched Sinusoidal Flow For $`B/B_\varphi >5`$ for Driving Along the Short Edge

A new type of stable flow phase that appears for the rectangular arrays for $`B/B_\varphi >4`$ at higher drives is a pinched sinusoidal flow phase such as seen in Fig. 14(d) for $`B=8`$. We follow the development of this phase in Fig. 14 for $`B/B_\varphi =8`$ where the initial depinning occurs through the almost 1D flow of interstitial vortices where two interstitial vortices remain pinned between the pinning sites as seen in Fig. 14(a) where $`f_d=0.1`$. There is additional slower periodic wandering of the moving vortices in the $`y`$-direction that broadens the channel. This periodic transverse wandering of the channels can also be seen to push the immobile interstitial vortices in the transverse direction. The trajectories from the longitudinally moving vortices are pinched where the moving vortices are directly adjacent to the pinning sites. In Fig. 14(b) with $`f_d=0.2`$ we show that for increased driving forces there is a transition to a disordered state as the immobile interstitial vortices begin to depin. For $`f_d=0.3`$ (Fig. 14(c)) the flow starts to reorganize to the pinched sinusoidal flow which becomes fully developed for $`f_d=0.325`$ as seen in Fig. 14(d).

In the pinched sinusoidal flow the vortices show a stable channel flow similar to the sinusoidal flows seen in the square arrays; however there is a pinched feature as the vortices flow adjacent to the pinning sites. As the vortices move through the pinched area only one vortex goes through the intersections at a time with a vortex from the upper and lower part of the branches alternating. For the other matching fields for $`B/B_\varphi >4`$ the same type of flow patterns are observed. The same flow patterns are observed at fields not too far from commensuration with the mobile rows carrying a varying number of vortices.

### B Additional Dynamical Flow Phases for $`B/B_\varphi <4`$

In Fig. 15(a) we show an interesting type of dynamically induced rotational motion ordered flow phase that occurs at and near $`B/B_\varphi =2.5`$ for driving along the long side of the pinning lattice. The depinning is due to the 1D flow of a portion of the interstitial vortices which move between every other pinning row. Another portion of interstitial vortices cannot pass through the pinned vortices and show a remarkable paired collective rotational motion. The rotations occurs as a pair of interstitial vortices rotate in opposite directions as the 1D moving interstitial vortices pass. Additionally every other rotating pair is out of phase with the adjacent rotating pairs. The rotational motion occurs due to the fact that the rotating interstitial vortices are located in a shallow potential well created by the vortices located at the pinning sites. As the ordered 1D moving vortices move past they push the interstitials vortices that are not moving longitudinally. Although these pairs do not show a net motion in the $`x`$-direction they are still taking part in the dissipation and slow down the 1D moving vortices. For higher drives the rotating interstitials can be dislodged from their orbits and the flow becomes more disordered.

In Fig. 15(b) we show the ordered flow phase that occurs for $`B/B_\varphi =4.5`$ where the initial depinning occurs through the sinusoidal flow of a portion of the interstitial vortices. Unlike the previous sinusoidal flows observed in this case the channels weave across the pinning sites rather then strictly between two rows of pinning sites. For higher drives the other immobile vortices depin and the flow enters a disordered phase.

### C Flow Phases For Driving Along Long Edge

In Fig. 16(a-f) we show the flow states just above depinning for driving along the short side of the rectangular pinning array for $`B/B_\varphi =2,3,4,7,8`$, and $`9`$, respectively. The motion at $`B=2B_\varphi `$ (Fig. 16(a)) is 1D where a single channel of interstitials is moving while for $`B/B_\varphi =8`$ (Fig. 16(e)) three rows of vortices are flowing and an immobile interstitial vortex is located between the pinning sites. An almost 1D flow is seen at $`B/B_\varphi =7`$ (Fig. 16(d)) in which 3 rows of interstitial vortices are moving. We note that for $`B/B_\varphi =7`$ a peak or matching anomaly was not present. The vortex configurations for $`B/B_\varphi =7`$ shows that along the immobile row of vortices there are 16 vortices with 8 located in the pinning sites while the mobile rows each contain 13 vortices so that the moving vortices are not commensurate with the periodicity of the potential created by the immobile vortices. For the $`B/B_\varphi =8`$ matching field where a peak was seen, the vortex configurations again show 16 vortices along the immobile row but the moving rows each contain 16 vortices which can be commensurate with the immobile vortices. The flow paths for $`B/B_\varphi =3`$ (Fig. 16(b)) and $`B/B_\varphi =4`$ (Fig. 16(c)) each show two rows of moving interstitial vortices in a sinusoidal flow with the flow at $`B/B_\varphi =4`$ showing a a larger amplitude. For $`B/B_\varphi =9`$ (Fig. 16(f)) where there was an absence of the peak in the depinning force the flow is mostly disordered with some remnant of the flow phase seen at $`B/B_\varphi =8`$.

In Fig. 17(a,b) we show the flow phase at $`B/B_\varphi =5`$, and $`6`$, respectively, for driving along the short edge. The flow at $`B/B_\varphi =7`$ shows a remarkable braiding flow where the moving interstitial vortices flow in a crossing pattern. A moving vortex that starts in the region almost underneath the pinning sites will move at an angle until it reaches the opposite side of the channel two pinning sites up while other vortices cross in the opposite direction. At $`B/B_\varphi =6`$ a similar flow to that seen at $`B/B_\varphi =5`$ is observed; however, the motion is not perfectly ordered.

## VIII Conclusion

We have analyzed numerically the vortex pinning and dynamics in square and rectangular pinning arrays for thin film superconductors. We predict an anisotropic critical current for the rectangular pinning arrays and calculate analytically the ratio of the critical depinning forces for different aspect ratios at $`B/B_\varphi =2`$. These results show that as the critical current is enhanced in one direction it is reduced in the other direction. The maximum critical current can be achieved for driving in certain directions of the rectangular pinning array. Numerical simulations also find that the anisotropy in the critical depinning force occurs for $`B/B_\varphi <4`$ and is less pronounced for higher fields. In the case of the square pinning arrays we observe pronounced commensurability effects at most integer matching fields and a missing matching peak at $`B/B_\varphi =7`$ in good agreement with recent experiments.

In the rectangular pinning arrays with an aspect ratio of 2:1 we observe an anisotropic depinning threshold in which the easy flow direction shows an overall lower depinning force but sharper and more pronounced commensuration effects while in the other direction the overall depinning force at both the commensurate and non-commensurate fields is higher, but the matching effects are considerably reduced. We observe integer matching effects in both driving directions up to $`B/B_\varphi =5`$, after which only every other matching field shows an enhanced critical current. The vortex configurations show that at the matching fields where enhanced critical currents are observed an ordered vortex arrangement is formed while at the matching fields where there is no enhancement the vortex arrangement is disordered.

For both the square and rectangular arrays we find that a remarkable variety of intricate dynamical flow phases can be realized and in general two classes of flow phases can be observed: stable channel flow, where vortices flow in the same paths in identifiable channels and vortices from one channel do not mix with vortices in another channel; and a disordered or mixing flow, where vortices from different channels mix or no identifiable channels occur. The particular flow states we observe include a 1D flow of interstitial vortices. For the square arrays at $`B/B_\varphi =5,6`$, $`8`$ and $`8.5`$ a sinusoidal flow occurs where a portion of the interstitial vortices are moving in winding paths while another portion of interstitial vortices remain pinned along with the vortices at the pinning sites. For increasing drives the immobile interstitial vortices can depin and the vortices can enter a more disordered flow phase. Near $`B/B_\varphi =3`$ a remarkable bistable flow phase is observed where the vortex flow is not in the direction of drive, but is alternating from the $`+45`$ degree direction to the $`45`$ degree direction. This motion can also be seen in the transverse vortex velocities. Away from commensurability these ordered flow phases become increasingly disordered. We also show that these phases can be probed experimentally with noise spectra. In ordered phases the noise spectra shows distinctive narrow-band features, while the disordered flows show a broad spectra. In addition we show that with transverse noise measurements the 1D and sinusoidal flows can be distinguished where the sinusoidal flows will show a narrow band transverse signal.

In the rectangular arrays several of the phases observed in the square arrays are also observed. A new ordered flow phase that occurs for driving in the short direction for a wide range of fields for high driving is a braided channel flow. At the matching fields the braided flow is uniform with each channel carrying the same number of vortices while at incommensurate fields the channels can carry different numbers of vortices. The signature of the onset of this braided flow can be seen in the current-voltage characteristics.

Acknowledgments

We thank C.J. Olson for critical reading of this manuscript, and I.K. Schuller, J. Martin, L.E. DeLong, L. Van Look, V. Metlushko, V.V. Moshchalkov, A. Hoffman, F. Nori, and R.T. Scalettar for useful discussions. This work was supported by the Director, Office of Advanced Scientific Computing Research, Division of Mathematical, Information and Computational Sciences of the U.S. Department of Energy under contract number DE-AC03-76SF00098 as well as CLC and CULAR (Los Alamos National Laboratory).


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# 1 The microcanonical occupation probability ⟨𝑛_𝑘⟩_mc for excitation energy 20𝑔 and different system sizes. For comparison the Fermi function for temperature 𝜏≡𝑘_𝐵𝑇/𝑔=3.49 is shown as the solid line (see Ref. [1]).

\[\]

Comment on “Canonical and Mircocanonical Calculations for Fermi Systems”

In the context of nuclear physics Pratt recently investigated noninteracting Fermi systems described by the microcanonical and canonical ensemble. As will be shown his discussion of the model of equally spaced levels contains a flaw and a statement which is at least confusing.

In his Letter Pratt gives an alternative derivation of an expression (Eq. (3) of Ref. ) in which the canonical partition function $`Z_A(\beta )`$ of a system with $`A`$ fermions at inverse temperature $`\beta `$ is expressed in terms of the partition function with fewer particles $`Z_{An}(\beta )`$. Starting with $`Z_0(\beta )1`$, $`Z_A(\beta )`$ can thus be calculated recursively. This result also leads to an expression in which the canonical occupation probability $`n_k_\mathrm{c}`$ for a one-particle state with energy $`ϵ_k`$ is expressed as a sum over terms which contain $`Z_{An}(\beta )`$ and $`\mathrm{exp}(n\beta ϵ_k)`$. $`Z_A(\beta )`$ can be expressed as the (discrete) Laplace transform of the number of states $`N_{A,E_r}`$ of a system with $`A`$ particles and fixed energy $`E_r`$. Here the index $`r`$ indicates, that for a finite system the energy is discrete and given as the sum over $`A`$ one-particle energies $`ϵ_k`$. Furthermore the product $`Z_A(\beta )n_k_\mathrm{c}`$ is given as the Laplace transform of $`N_{A,E_r}n_k_{\mathrm{mc}}`$ where $`n_k_{\mathrm{mc}}`$ is the microcanonical distribution function. Starting with the expressions for the canonical ensemble and using inverse Laplace transformation it is thus possible to obtain recursive relations for $`N_{A,E_r}`$ and $`n_k_{\mathrm{mc}}`$. They are given in Eqs. (7) and (8) of Ref. .

As an example Pratt investigated a model with equally spaced (spacing $`g`$) nondegenerate fermionic levels. The $`A`$-particle groundstate energy is given by $`E_0(A)=gA(A+1)/2`$ and the total energy $`E_r(A)`$ can be written as $`E_r(A)=E_0(A)+gr`$, with $`r=0,1,2,\mathrm{}`$. His discussion suggests that there is a direct connection between the number of states with an excitation energy $`gr`$ and the number of partitions of the integer $`r`$ into distinct parts. This is not the case. Instead the model can be related to the unrestricted partition problem, i.e. the problem of finding the number of ways the integer $`r`$ can be written as a sum of smaller integers, where it is allowed to repeatedly use the same integer. The very fact that the same integer can be used more than once is essential in connection with the mapping of the fermionic system on a bosonic one, a procedure which is known as bosonization. For $`rA`$, $`N_{A,E_r}`$ is given by the number of partitions $`p(r)`$ of $`r`$ which is independent of $`A`$. For $`r>A`$ this mapping breaks down and $`N_{A,E_r}<p(r)`$. In Fig. 3 of his Letter Pratt presents data for $`n_k_{\mathrm{mc}}`$ and $`r=20`$ calculated using his Eqs. (7) and (8). He does not give the number of particles for which the data have been obtained. We have been informed by Pratt that $`rA`$, which implies that the data have to be independent of $`A`$. For $`rA`$ the microcanonical occupation probability fulfills the symmetry relation $`n_k_{\mathrm{mc}}+n_{Ak+1}_{\mathrm{mc}}=1`$ and is a monotonic function of $`k`$. These observations are essential in connection with the question how the grand canonical distribution function (the Fermi function) is appoached in the thermodynamic limit. Both requirements are apparently violated by the data presented by Pratt. We have been informed by the author that in Fig. 3 he accidentally used the wrong set of data. The data shown have been obtained for a model of randomly placed levels. Fig. 1 shows the correct microcanonical occupation probability for the equally spaced level model, $`r=20`$, and different system sizes. To obtain the data for $`rA`$ we have used the three different algorithms presented in Refs. , , and which all lead to the same curve. For $`r>A`$ the formulas presented in Refs.  and  cannot be used and only the new result of Pratt which does not make direct use of the mapping to the partition problem is applicable. $`n_k_{\mathrm{mc}}`$ displays monotonic behavior also for $`r>A`$. As a test of the validity of our data we have always checked the sum rule $`_kn_k_{\mathrm{mc}}=A`$ which is fulfilled up to very high precision.

V. Meden and K. Schönhammer
Institut für Theoretische Physik
Universität Göttingen
Bunsenstr. 9
D-37073 Göttingen
Germany


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# Magnetoresistance in High-𝑇_c Superconductors: The Role of Vertex Corrections

## Abstract

In high-$`T_\mathrm{c}`$ cuprates, the orbital magnetoresistance in plane ($`\mathrm{\Delta }\rho /\rho `$) is anomalously enhanced at lower tempemeratures compared with conventional Fermi liquids, and thus Kohler’s rule is strongly violated. Moreover, it should be noted that an intimate relation between $`\mathrm{\Delta }\rho /\rho `$ and the Hall coefficient ($`R_\mathrm{H}`$), $`\mathrm{\Delta }\rho /\rho (R_\mathrm{H}/\rho )^2`$, holds well experimentally, and is called the ”modified Kohler’s rule”. In this letter, we study this long-standing problem in terms of the nearly antiferromagnetic (AF) Fermi liquid. We analyze the exact expression for $`\mathrm{\Delta }\rho /\rho `$ by including the vertex corrections (VC’s) to keep the conservation laws, and find the approximate ”scaling relation” $`\mathrm{\Delta }\rho /\rho \xi _{\mathrm{AF}}^4\rho ^2H^2`$ ($`\xi _{\mathrm{AF}}`$ being the AF correlation length.) in the presence of AF fluctuations. The factor $`\xi _{\mathrm{AF}}^4`$, which comes from the VC’s for the current, gives the additional temperature dependence. By taking account of the relation $`R_\mathrm{H}\xi _{\mathrm{AF}}^2`$ \[Kontani et al., PRB 59 (1999) 14723.\], we can naturally explain the modified Kohler’s rule. In conclusion, based on the Fermi liquid theory, the famous seemingly non-Fermi liquid behaviors of $`R_\mathrm{H}`$ and $`\mathrm{\Delta }\rho /\rho `$ in high-$`T_\mathrm{c}`$ cuprates are naturally understood on an equal footing.

Anomalous normal-state transport properties in high-$`T_\mathrm{c}`$ superconductors have attracted a great deal of attentions. For a wide range of temperatures, the resistivity ($`\rho `$), the Hall coefficient ($`R_\mathrm{H}`$), and the in-plane magnetoresistance (MR, $`\mathrm{\Delta }\rho /\rho `$) are approximately proportional to $`T`$, $`T^1`$ and $`T^4`$, respectively . These findings indicate the strong violation of Kohler’s rule, that is, $`R_\mathrm{H}\rho ^0`$ and $`\mathrm{\Delta }\rho /\rho \rho ^2`$. Kohler’s rule is derived by the relaxation time approximation (RTA), assuming that the relaxation time ($`\tau _𝐤`$) is not very anisotropic. Irrespective of its quasiclassical approximation, Kohler’s rule holds in various metals in general .

By definition, $`\rho `$, $`R_\mathrm{H}`$, and $`\mathrm{\Delta }\rho /\rho `$ are given by

$`\rho `$ $`=`$ $`1/\sigma _{xx}`$ (1)
$`R_\mathrm{H}`$ $`=`$ $`(\mathrm{\Delta }\sigma _{xy}/H)/\sigma _{xx}^2,`$ (2)
$`\mathrm{\Delta }\rho /\rho `$ $`=`$ $`\mathrm{\Delta }\sigma _{xx}/\sigma _{xx}(\mathrm{\Delta }\sigma _{xy}/\sigma _{xx})^2,`$ (3)
where $`\sigma _{xx}`$ is the diagonal conductivity without the magnetic field $`\stackrel{}{H}`$ ($`\stackrel{}{H}\widehat{e}_z`$). The Hall conductivity $`\mathrm{\Delta }\sigma _{xy}`$ and the magnetoconductivity (MC) $`\mathrm{\Delta }\sigma _{xx}`$ are of the order $`H^1`$ and $`H^2`$, respectively.

The violation of Kohler’s rule has been regarded as a serious test for the possible ground state of high-$`T_\mathrm{c}`$ cuprates. Until today, various authors have attempted to settle this issue in terms of a non-Fermi liquid picture, e.g., the spin-charge separation picture . In recent years, several authors studied this problem in terms of the nearly antiferromagnetic (AF) Fermi liquid picture, and they ascribed the violation of Kohler’s rule to the anisotropy of $`\tau _𝐤`$ based on the RTA . However, they had to assume a huge anisotropy of $`\tau _𝐤`$ to produce the magnitude of the Hall coefficient. In that case, their model produced a MR too large to agree with experiments.

Recently, we studied the role of vertex corrections (VC’s) on the Hall coefficient in high-$`T_\mathrm{c}`$ cuprates . We found that the VC’s for the current, which are dropped in the RTA, cause the Curie-Weiss-like behavior of $`R_\mathrm{H}`$ in the presence of AF fluctuations. The obtained results explain the experimental doping and temperature dependences of $`R_\mathrm{H}`$ satisfactorily . Noteworthily, $`R_\mathrm{H}<0`$ observed in electron-doped compounds, which cannot be explained within the analysis by the RTA, is naturally reproduced in terms of the VC’s .

In this letter, we introduce our theoretical study on the MR in high-$`T_\mathrm{c}`$ cuprates according to the expressions for the MR which is ”exact” with respect to $`O(\tau ^2)`$ . We take account of all the VC’s required by the Ward identity in order not to violate the conservation laws (i.e., the conserving approximation) . Due to the VC’s, the MR is strongly enhanced in the presence of AF fluctuations, which leads to the violation of Kohler’s rule in high-$`T_\mathrm{c}`$ cuprates. Furthermore, the so-called ”modified Kohler’s rule”, $`\mathrm{\Delta }\rho /\rho (R_\mathrm{H}/\rho )^2`$, is well reproduced in our study in terms of the nearly AF Fermi liquid.

First, we calculate the self-energy $`\mathrm{\Sigma }_𝐤(\omega )`$ by the fluctuation-exchange (FLEX) approximation, which is a kind of self-consistent perturbation theory with respect to $`U`$ . It is suitable for the analysis of the nearly AF Fermi liquid, and it has been applied to high-$`T_\mathrm{c}`$ cuprates  and $`\kappa `$-BEDT-TTF superconductors . In the present study, we use $`64\times 64`$ $`𝐤`$-meshes and 512 Matsubara frequencies.

We study the square-lattice Hubbard model with on-site Coulomb interaction $`U`$. Figure 1 shows the noninteracting Fermi surface (FS) for $`n=0.85`$. We put $`(t,t^{},t^{\prime \prime };U)=(1,0.2,0.15;6.5)`$ for YBCO, and $`(1,0.15,0.05;4.5)`$ for LSCO, where $`t`$, $`t^{}`$ and $`t^{\prime \prime }`$ are hopping integrals between the nearest neighbor, the second nearest and the third nearest, respectively . As shown in ref. , $`\gamma _𝐤\mathrm{Im}\mathrm{\Sigma }_𝐤(\mathrm{i0})>0`$ takes a maximum \[minimum\] value around the hot-spot \[cold-spot\] in Fig. 1. The portion of the FS near the cold-spot mainly contributes to the transport phenomena. We note that the anisotropy of $`\gamma _𝐤`$ is not very large according to the FLEX approximation; $`\gamma _{\mathrm{hot}}/\gamma _{\mathrm{cold}}\stackrel{<}{}3`$ for YBCO (n=0.90) at $`T=0.02`$ . This result is consistent with the recent analysis of the $`c`$-axis MR , or with ARPES measurements except in the pseudo spin-gap region.

Next, we study the transport coefficients by including the VC’s for the current according to the conserving approximation. The expression for the conductivity without the magnetic field and the Hall conductivity are given by refs.  and , respectively:

$`\sigma _{xx}`$ $`=`$ $`{\displaystyle \frac{e^2}{v_B}}{\displaystyle _{\mathrm{FS}}}{\displaystyle \frac{dk_{}}{|\stackrel{}{v}_𝐤|}}v_{𝐤x}J_{𝐤x}{\displaystyle \frac{1}{\gamma _𝐤}},`$ (4)
$`\mathrm{\Delta }\sigma _{xy}`$ $`=`$ $`H{\displaystyle \frac{e^3}{4v_B}}{\displaystyle _{\mathrm{FS}}}𝑑k_{}|\stackrel{}{J}_𝐤|^2\left(\theta _𝐤^J/k_{}\right){\displaystyle \frac{1}{\gamma _𝐤^2}},`$ (5)
$`J_{𝐤\mu }`$ $`=`$ $`{\displaystyle \frac{1}{v_B}}{\displaystyle _{\mathrm{FS}}}{\displaystyle \frac{dk_{}^{}}{|\stackrel{}{v}_𝐤^{}|}}𝒯(𝐤|𝐤^{}){\displaystyle \frac{1}{\gamma _𝐤^{}}}v_{𝐤^{}\mu }+v_{𝐤\mu },`$ (7)
$`𝒯(𝐤|𝐤^{}){\displaystyle \frac{dϵ}{4\mathrm{i}}𝒯_{22}(𝐤,0|𝐤^{},ϵ)},`$
where $`v_B=(2\pi )^2`$ and $`_{\mathrm{FS}}𝑑k_{}`$ means the integration on the Fermi line. $`\stackrel{}{v}_𝐤\stackrel{}{}(ϵ_𝐤^0+\mathrm{Re}\mathrm{\Sigma }_𝐤(0))`$ is the quasiparticle velocity, and $`\theta _𝐤^J=\mathrm{tan}^1(J_{𝐤y}/J_{𝐤x})`$. The total current $`\stackrel{}{J}_𝐤`$ is given by the solution of the Bethe-Salpeter equation, eq. (7). Here, the ”reducible” vertex $`𝒯_{22}(𝐤ϵ|𝐤^{}ϵ^{})`$ in eq. (7) within the FLEX approximation is explained in ref. . Note that $`\stackrel{}{J}_𝐤`$ is not parallel to $`\stackrel{}{v}_𝐤`$ due to $`𝒯_{22}`$ in general.

According to ref. , the expression for the MC with the VC’s is given by

$`\mathrm{\Delta }\sigma _{xx}`$ $``$ $`\mathrm{\Delta }\sigma _{xx}^a+\mathrm{\Delta }\sigma _{xx}^b,`$ (8)
$`\mathrm{\Delta }\sigma _{xx}^a`$ $`=`$ $`H^2{\displaystyle \frac{e^4}{4v_B}}{\displaystyle _{\mathrm{FS}}}{\displaystyle \frac{dk_{}}{|\stackrel{}{v}_𝐤|}}\left\{d_x(𝐤)\right\}^2{\displaystyle \frac{1}{\gamma _𝐤}},`$ (9)
$`\mathrm{\Delta }\sigma _{xx}^b`$ $`=`$ $`H^2{\displaystyle \frac{e^4}{4v_B}}{\displaystyle _{\mathrm{FS}}}{\displaystyle \frac{dk_{}}{|\stackrel{}{v}_𝐤|}}d_x(𝐤)D_x^{}(𝐤){\displaystyle \frac{1}{\gamma _𝐤}},`$ (10)
$`d_\mu (𝐤)`$ $`=`$ $`|\stackrel{}{v}_𝐤|{\displaystyle \frac{}{k_{}}}\left(J_{𝐤\mu }/\gamma _𝐤\right),`$ (11)
$`D_\mu ^{}(𝐤)`$ $`=`$ $`{\displaystyle \frac{1}{v_B}}{\displaystyle _{\mathrm{FS}}}{\displaystyle \frac{dk_{}^{}}{|\stackrel{}{v}_𝐤^{}|}}𝒯(𝐤|𝐤^{}){\displaystyle \frac{1}{\gamma _𝐤^{}}}d_\mu (𝐤^{}).`$ (12)
According to eqs. (5) and (8), $`\mathrm{\Delta }\sigma _{xy}`$ and $`\mathrm{\Delta }\sigma _{xx}`$ are of orders $`O(\gamma ^2)`$ and $`O(\gamma ^3)`$, respectively. If we drop all the VC’s coming from $`𝒯^I(𝐤|𝐤^{})`$ in eqs. (4), (5) and (8), we obtain the results by the RTA with $`\tau _𝐤=1/2\gamma _𝐤`$. We write them as $`\sigma _{xx}^{\mathrm{RTA}}`$, $`\mathrm{\Delta }\sigma _{xy}^{\mathrm{RTA}}`$ and $`\mathrm{\Delta }\sigma _{xx}^{\mathrm{RTA}}`$, respectively.

Under the fourfold symmetry around the $`z`$-axis, $`\mathrm{\Delta }\sigma _{xx}^a`$ in eq. (8) is rewritten as

$`\mathrm{\Delta }\sigma _{xx}^a`$ $`=`$ $`H^2{\displaystyle \frac{e^4}{8v_B}}{\displaystyle _{\mathrm{FS}}}𝑑k_{}|\stackrel{}{v}_𝐤|`$ (14)
$`\times \left[|\stackrel{}{l}_𝐤|^2\left(\theta _𝐤^J/k_{}\right)^2+\left(|\stackrel{}{l}_𝐤|/k_{}\right)^2\right]{\displaystyle \frac{1}{\gamma _𝐤}}`$
where $`\stackrel{}{l}_𝐤=\stackrel{}{J}_𝐤/\gamma _𝐤`$. In the same way, the MC without the VC’s, $`\mathrm{\Delta }\sigma _{xx}^{\mathrm{RTA}}`$, is given by eq. (14) if we replace $`\stackrel{}{l}_𝐤\stackrel{}{l}_𝐤^v\stackrel{}{v}_𝐤/\gamma _𝐤`$ and $`\theta _𝐤^J\theta _𝐤^v\mathrm{tan}^1(v_{𝐤x}/v_{𝐤y})`$. We note that eq. (8) is the simplified expression of the original one given in ref. , under the condition $`\gamma _𝐤^{}T`$. In the present numerical study, we use the original expression in ref.  to obtain more reliable results.

Figure 2 shows the obtained temperature dependence of $`\mathrm{\Delta }\rho /\rho `$ for $`T0.02`$($``$100 K) by using the original expression of eq. (8). We also plot $`(\mathrm{\Delta }\rho /\rho )_{\mathrm{MC}\text{-}\mathrm{RTA}}`$, which is given by replacing $`\mathrm{\Delta }\sigma _{xx}`$ with $`\mathrm{\Delta }\sigma _{xx}^{\mathrm{RTA}}`$ in eq. (2). Thus, Fig. 2 means that the VC’s increase the ratio $`\mathrm{\Delta }\sigma _{xx}/\mathrm{\Delta }\sigma _{xx}^{\mathrm{RTA}}`$ as the temperature decreases. We will discuss the mechanism later in this letter.

Figure 3 shows the temperature dependence of the following coefficient for YBCO:

$`\zeta `$ $`=`$ $`(\mathrm{\Delta }\rho /\rho )(\mathrm{cot}\theta _\mathrm{H})^2={\displaystyle \frac{\mathrm{\Delta }\sigma _{xx}\sigma _{xx}}{(\mathrm{\Delta }\sigma _{xy})^2}}1,`$ (15)
where $`\mathrm{cot}\theta _\mathrm{H}=\sigma _{xx}/\mathrm{\Delta }\sigma _{xy}=\rho /R_\mathrm{H}`$. The calculated $`\zeta `$ is almost $`T`$-independent for a wide range of temperatures, $`0.02T0.10`$, which is consistent with the ”modified Kohler’s rule” observed in high-$`T_\mathrm{c}`$ cuprates. Experimentally, $`\zeta `$ slightly depends on the doping; $`\zeta 1.51.7`$ for YBCO , and $`\zeta 23`$ for Tl2Ba2CuO6+δ . (Note that $`\zeta =\mathrm{\Delta }\rho =0`$ for an isotropic system.)

We also show the result of the RTA in Fig. 3, $`\zeta _{\mathrm{RTA}}`$, where all the VC’s are neglected. As was pointed out in previous studies based on the RTA , $`\zeta _{\mathrm{RTA}}`$ is too large to agree with experiments at low temperatures.

On the other hand, $`\zeta _{\mathrm{MC}\text{-}\mathrm{RTA}}`$ is given by eq. (15) by replacing $`\mathrm{\Delta }\sigma _{xx}`$ with $`\mathrm{\Delta }\sigma _{xx}^{\mathrm{RTA}}`$. Considering that $`\sigma _{xx}\sigma _{xx}^{\mathrm{RTA}}`$ as shown in ref. , we obtain $`\zeta _{\mathrm{MC}\text{-}\mathrm{RTA}}+1(\zeta _{\mathrm{RTA}}+1)(\mathrm{\Delta }\sigma _{xy}^{\mathrm{RTA}}/\mathrm{\Delta }\sigma _{xy})^2`$. As shown in Fig. 3, $`\zeta _{\mathrm{MC}\text{-}\mathrm{RTA}}`$ is too small at low temperatures because $`\mathrm{\Delta }\sigma _{xy}`$ is largely enhanced due to the VC’s, which explains the Curie-Weiss-like behavior of $`R_\mathrm{H}`$ . In conclusion, the modified Kohler’s rule is well satisfied only when all the VC’s for $`\mathrm{\Delta }\sigma _{xy}`$ and $`\mathrm{\Delta }\sigma _{xx}`$ are taken into account. Thus, the VC’s play an essential role for the MR. We will discuss the reason for this later.

Here, we discuss why the modified Kohler’s rule is well satisfied by taking the VC’s into account. In YBCO, the spin-susceptibility given by the FLEX approximation is qualitatively described as

$`\chi _𝐪(\omega )=\chi _Q(1+\xi _{\mathrm{AF}}^2(𝐪𝐐)^2\mathrm{i}\omega /\omega _{\mathrm{sf}})^1,`$ (16)
where $`𝐐=(\pi ,\pi )`$, $`\xi _{\mathrm{AF}}`$ is the AF-correlation length, and $`\chi _Q\omega _{\mathrm{sf}}^1\xi _{\mathrm{AF}}^2`$. According to the SCR theory  or the renormalization group study , $`\xi _{\mathrm{AF}}^2(T+c)^1`$ in two-dimensional systems, which is observed in high-$`T_\mathrm{c}`$ cuprates around the optimum doping . This relation is also reproduced well by the FLEX approximation .

As shown in ref. , $`𝒯^I(𝐤;𝐤^{})\mathrm{i}T^2\mathrm{Im}\chi _{𝐤𝐤^{}}(\omega )/\omega |_{\omega 0}`$ due to the Maki-Thompson term, which is essential when AF fluctuations are strong. According to eq. (16), we see that the ”momentum-derivative of $`𝒯_{22}`$” causes a factor proportional to $`\xi _{\mathrm{AF}}^2T^1`$. This suggests that $`\mathrm{\Delta }\sigma _{xy}`$ and $`\mathrm{\Delta }\sigma _{xx}`$ are enhanced by $`\xi _{\mathrm{AF}}^2`$ and $`\xi _{\mathrm{AF}}^4`$ according to eqs. (5) and (8), which will cause the breakdown of Kohler’s rule in the presence of AF fluctuations.

Now we discuss $`\mathrm{\Delta }\sigma _{xx}`$ in more detail: According to the analysis in § V of ref. , $`\left(\frac{\theta _𝐤^J}{k_{}}\right)\xi _{\mathrm{AF}}^x\left(\frac{\theta _𝐤^v}{k_{}}\right)`$ and $`x2`$ around the cold spot in YBCO or LSCO. To be precise, $`x`$ may deviate from 2 somehow due to the $`\xi _{\mathrm{AF}}`$-dependence (or $`T`$-dependence) of the shape of the FS, which is prominent in high-$`T_\mathrm{c}`$ cuprates . As a result, the first term of eq. (14) is proportional to $`\xi _{\mathrm{AF}}^{2x}`$.

The second term of eq. (14) vanishes in an isotropic system. In the case of YBCO, it is small in our numerical calculation because $`|\stackrel{}{v}_𝐤|`$ on the FS is rather isotropic in YBCO. Although it is enhanced at lower temperatures as $`\gamma _𝐤`$ becomes anisotropic, it is still small in YBCO because $`|\stackrel{}{l}_𝐤|=|\stackrel{}{J}_𝐤/\gamma _𝐤|`$ is not very anisotropic according to the FLEX approximation for $`n0.9`$ .

According to a similar analysis in § V of ref. , we can show that $`\mathrm{\Delta }\sigma _{xx}^b`$ in eq. (8) is also proportional to $`\xi _{\mathrm{AF}}^{2x}`$ . However, its absolute value is quite small in YBCO in the present calculation, although this may be accidental. In conclusion, in the case of YBCO, only the first term of eq. (14) is dominant for $`\mathrm{\Delta }\sigma _{xx}`$ which is enhanced by $`\xi _{\mathrm{AF}}^{2x}`$.

Next, we show the temperature dependence of $`\zeta `$ in the case of LSCO in Fig. 4. $`\zeta `$ in LSCO is much larger than that in YBCO, particularly for $`n=0.8`$. This is because the second term of eq. (14) becomes important as the anisotropy of $`|\stackrel{}{v}_𝐤|`$ on the FS is larger in LSCO. In particular, the FS at $`n=0.8`$ is very close to the van-Hove singular point $`(\pi ,0)`$. Experimentally, $`\zeta 13.6`$ for the slightly over-doped sample, $`x=0.17`$, and it increases (decreases) as the doping increases (decreases) . Thus, our calculation results are consistent with those of experiments.

According to the present numerical study, the second term of eq. (14) is approximately proportional to the first term which is proportional to $`\xi _{\mathrm{AF}}^{2x}\gamma _{\mathrm{cold}}^3`$. Moreover, $`\mathrm{\Delta }\sigma _{xx}^b`$ in eq. (8) also makes an important contribution to the MR in LSCO, which is proportional to $`\xi _{\mathrm{AF}}^{2x}`$. In Fig. 4, $`\zeta `$ in LSCO shows weak $`T`$-dependence, which mainly comes from the second term of eq. (14) . However, its $`T`$-dependence is much smaller than that of $`\zeta _{\mathrm{RTA}}`$ or $`\zeta _{\mathrm{MC}\text{-}\mathrm{RTA}}`$, as shown in Fig. 4.

In summary, we obtain the following relations by taking the VC’s into account in the nearly AF Fermi liquid:

$`\mathrm{\Delta }\sigma _{xy}`$ $``$ $`\xi _{\mathrm{AF}}^x\gamma _{\mathrm{cold}}^2,`$ (17)
$`\mathrm{\Delta }\sigma _{xx}`$ $``$ $`\xi _{\mathrm{AF}}^{2x}\gamma _{\mathrm{cold}}^3,`$ (18)
and $`x2`$. Because $`\sigma _{xx}\xi _{\mathrm{AF}}^0\gamma _{\mathrm{cold}}^1`$, we obtain the relations $`\mathrm{\Delta }\rho /\rho \xi _{\mathrm{AF}}^{2x}\gamma _{\mathrm{cold}}^2`$ and $`\zeta \xi _{\mathrm{AF}}^0\gamma _{\mathrm{cold}}^0`$const., which explain why the ”modified Kohler’s rule” is satisfied in high-$`T_\mathrm{c}`$ cuprates in general for a wider range of temperatures.

Figure 5 shows that the obtained scaling behavior for YBCO, $`\mathrm{\Delta }\rho \rho R_\mathrm{H}^2\xi ^{2x}`$ and $`x1.5`$, which is consistent with eq. (18) well. This obtained result directly means that $`\mathrm{\Delta }\sigma _{xx}T^{4.5}`$ or $`\mathrm{\Delta }\rho /\rho T^{3.5}`$ because the relations $`\chi _Q(0)\xi _{\mathrm{AF}}^2T^1`$ and $`\gamma _{\mathrm{cold}}T^1`$ hold well for $`T0.02`$ in the present FLEX approximation. This result is consistent with that of the experiment on 90 K-YBCO . We note that in the present study $`R_\mathrm{H}(T=0.02)/R_\mathrm{H}(T=0.2)`$ is about 3.8 for YBCO ($`n=0.9`$), and about 4 for LSCO ($`n=0.85`$).

In this letter, we mainly focus on systems around the optimum doping weight above the pseudo spin-gap temperature ($`T^{}`$), where the modified Kohler’s rule holds well experimentally. In our numerical study, $`\xi _{\mathrm{AF}}\stackrel{<}{}3a`$ for $`n0.9`$ in YBCO ($`a`$ being the lattice spacing), which is consistent with experiments . Moreover, $`\gamma _{\mathrm{hot}}/\gamma _{\mathrm{cold}}`$ is suppressed to $`3`$ because of the feedback effect in the FLEX approximation. It is an important theoretical (and experimental) future problem to analyze the MC in a heavily under-doped region where $`\xi _{\mathrm{AF}}10`$ will be realized. Finally, we discuss the MR in the pseudo spin-gap region. Experimentally, $`\mathrm{\Delta }\rho /\rho `$ starts to increase much faster than $`T^4`$ below $`T^{}`$. This behavior can be explained if we assume that $`\gamma _{\mathrm{hot}}/\gamma _{\mathrm{cold}}1`$ is realized below $`T^{}`$ because the second term of eq. (14) becomes much larger. This assumption is supported by a recent study of the pseudo spin-gap phenomena in terms of the strong superconducting fluctuations below $`T^{}`$ .

In summary, we studied the anomalous behaviors of the MR in high-$`T_\mathrm{c}`$ cuprates in terms of the Fermi liquid theory. To go beyond the RTA, the role of the VC’s is analyzed by the conserving approximation based on the exact expression for $`\mathrm{\Delta }\rho /\rho `$. By virtue of the VC’s, the modified Kohler’s rule is satisfactorily reproduced in the presence of AF fluctuations. The obtained value of $`\zeta =\mathrm{\Delta }\rho \rho /R_\mathrm{H}^2`$ is consistent with experimental value both for YBCO and LSCO. In conclusion, the VC’s are essential for reproducing the seemingly non-Fermi liquid behaviors of both $`R_\mathrm{H}`$ and $`\mathrm{\Delta }\rho /\rho `$ in high-$`T_\mathrm{c}`$ on an equal footing.

The author is grateful to D. Vollhardt, K. Yamada and Y. Ando for valuable comments and discussions.


text:
# Is There Still Room for Warm/Hot Gas? Simulating the X-ray Background Spectrum

## 1. Introduction

Measurements of the total baryon density from the optical depth of the Lyman $`\alpha `$ forest (Rauch et al. 1998) at high redshift ($`z23`$) are in remarkable agreement with those derived from observed light-element ratios and nucleosynthesis arguments (BBN, Burles & Tytler), which yield a value of $`\mathrm{\Omega }_{b,D/H}=0.039\pm 0.002`$, assuming $`hH_0/100=0.7.`$ However, in the local universe, the combined observed contributions of stars, atomic and molecular hydrogen, and cluster gas fall a factor of two to four below this number (Fukugita, Hogan, & Peebles 1998). This is known as the missing baryon problem.

Cosmological hydrodynamical simulations suggest that, at low redshift, a significant fraction, up to $`40\%`$, of all the baryons, could be in the warm/hot gas in filaments (e.g., Cen et al. 1995; Cen & Ostriker 1999; Davé et al. 2000; Croft et al. 2000). This diffuse gas, which is also known as the Warm/Hot Intergalactic Medium (WHIM), is located in filamentary structures between clusters of galaxies and in which groups of galaxies are embedded. It is shock-heated to temperatures $`T=10^510^7`$K, between that of the hot cluster gas and the warm gas in voids. The comparatively low density and temperature of this gas make it a challenge to detect and as yet, attempts to observe it in emission have yielded marginal (Wang, Connolly & Brunner 1997; Boughn 1998; Kull & Böhringer 1999; Scharf et al. 2000) or negative results, with an upper bound of $`1.1\times 10^{12}`$ erg $`\mathrm{s}^1\mathrm{cm}^2\mathrm{deg}^2`$in the 0.5 to 2 keV band for intercluster gas (Briel & Henry 1995). However, warm gas has been detected as O VI absorption features in quasar spectra (Tripp & Savage 2000; Tripp, Savage, & Jenkins 2000, and references therein) which seem to coincide in redshift with galaxy overdensities. The WHIM may have been indirectly detected in the observed X-ray background (XRB) autocorrelation (Soltan & Freyberg 2000) and cross-correlation with the galaxy density distribution (Refregier, Helfand, & McMahon 1997; Soltan et al. 1997). In addition, rocket experiments show some evidence of O VII /O VIII emission from this gas (D. McCammon et al., in preparation).

Most of the soft XRB has now been resolved into AGN and other sources, leading to an upper bound on the fraction of the extragalactic soft $`12`$ keV X-ray component due to the WHIM of $`25\%`$ (Hasinger et al. 1998; Mushotzky et al. 2000; Giacconi et al. 2000). This is a small fraction of the XRB but could represent a large fraction of the baryons of moderate overdensity (Davé et al. 2000). Markevitch (1999), Phillips, Ostriker & Cen (2000) and Pierre, Bryan & Gastaud (2000) have already described possible methods to detect this gas using Chandra and XMM. In addition, the X-ray properties of this gas have been predicted from large scale simulations using both smoothed particle hydrodynamics (SPH) and Eulerian hydrodynamical methods (Croft et al. 2000; L. A. Phillips, in preparation).

We note that the hot gas component of the XRB is well established. Hot gas associated with rich clusters of galaxies is estimated to produce $`10\%`$ of the $`12`$ keV background (Hardy et al. 1998) and represents a fraction of approximately $`8\%`$ of the computed total baryonic complement of the cosmic mass density (Fukugita et al 1998). These diffuse baryons are associated with the $`5\%`$ of all galaxies (Bahcall 2000) which are found in rich clusters. Most galaxies are in fact in lower density, lower velocity dispersion regions (such as poor clusters, groups, filaments and the field) and would be expected to be associated with lower density, lower temperature gas. It is the purpose of this paper to ascertain if the expected emission from this gas is consistent with our knowledge of the relatively soft XRB.

We present the total 100 eV to 10 keV X-ray spectrum from the WHIM calculated from new cosmological hydrodynamical simulations. The simulation is described in Section 2 and discussed in the context of the current limits placed on the different components of the XRB, including point sources, cluster gas and the more diffuse WHIM in Section 3. We summarize our results and briefly discuss the implied prospects of detecting the WHIM with ongoing and future X-ray missions in the Conclusions (Section 4).

## 2. The Integrated Spectrum

In the following calculations, we use the dark matter, galaxy, and gas temperature, density and metallicity information at redshifts zero, 0.5, 1 and 3 from the cosmological hydrodynamical simulation of a $`L=100h^1`$Mpc box, with $`512^3`$ fluid elements and $`256^3`$ dark matter particles, described in detail in Cen & Ostriker (1999). The simulation follows the metallicity history of the gas in each cell, enabling us to examine the contribution of metal lines to the XRB spectrum. The helium mass fraction is set to that of primordial gas, Y $`=0.24`$. The chosen cosmology is the ”concordance model” (Wang et al. 2000), a flat low-density ($`\mathrm{\Omega }_0=0.37`$) universe with a Cosmological Constant ($`\mathrm{\Omega }_\mathrm{\Lambda }=0.63`$), $`\mathrm{\Omega }_b=0.035`$ and $`H_0=70.`$ The AGN integrated spectrum from a new, higher resolution cosmological hydrodynamical simulation of a smaller $`L=25h^1`$Mpc box with $`768^3`$ fluid elements (R. Cen & J. P. Ostriker, in preparation) is also used in estimating the large box AGN XRB spectrum.

We assume that the gas is in thermal and ionization equilibrium, and use the Raymond-Smith (1977) code for optically thin plasmas, as modified by Cen et al. (1995), to obtain the average Bremsstrahlung and emission line spectrum from the large box for each of the four output redshifts. We then integrate the $`z=0,0.5,1,`$ and $`3`$ spectra, assuming no evolution, over the redshift ranges bounded by redshifts $`z_{bound}=0,0.25,0.75,2`$ and $`3`$, to obtain the total integrated spectrum from the WHIM.

We remove the contribution from gas within $`1.5h^1`$ Mpc of the center of low redshift ($`z0.2`$) clusters in the simulation which were associated with (dark matter + baryonic) masses $`M5.5\times 10^{14}h^1M_{}`$ (or richness $`2`$, Bahcall & Cen 1993) by Nagamine, Cen, & Ostriker (2000). Cluster gas emission regions are usually treated as “sources” and removed from the total observed background when attempting to estimate the residual “hot gas background”. The component we are addressing in this paper is of course not uniformly distributed. It is also clumped, albeit with a far lower clumping factor than the hot gas in clusters (see Davé et al. 2000 for a detailed discussion). We nevertheless remove the cluster gas from our computation to make this analysis comparable with those usually undertaken in studies of the X-ray sky.

A composite AGN spectrum was obtained from the small box by integrating an AGN template spectrum (Edelson & Malkan 1986) over all redshifts, adopting an AGN emission efficiency in keeping with those observed and proportional to the star formation rate averaged over the whole box (Cen et al. 1998). We use this to estimate the contribution to the XRB spectrum from AGN in the large box. We normalize the integrated AGN spectrum so that at high energies ($`>30`$ keV) the XRB from the large box is completely resolved into AGN (Mushotzky et al. 2000). Cen & Ostriker (1999) integrated the XRB spectrum from AGN, Orion-like stars, and Bremsstrahlung emission from gas over all redshifts for the large box. We can recover the $`0.110`$ keV portion of this spectrum to within a few percent by adding the WHIM Bremsstrahlung spectrum obtained above to the estimated contribution from the AGN. This sum will therefore be used as the total simulated XRB spectrum in the discussion below.

The total integrated X-ray spectrum from the WHIM (dotted line) is shown in the upper panel of Figure 1 along with the total XRB spectrum from the large box simulation (solid line). The latest XRB spectra (T. Miyaji et al. 2000, private communication) obtained from the ASCA LSS region for the $`0.610`$ keV range (filled circles) and from ROSAT PSPC measurements at lower energies (filled triangles) are also shown. The simulation results scale as $`\mathrm{\Omega }_b^2`$ and our uncertainty concerning this basic parameter must be added to the other uncertainties. The errors due to the finite number of simulation output redshifts and that introduced by only integrating out to a redshift of $`z=3`$ are both negligible when compared with this uncertainty. Average published values of $`\mathrm{\Omega }_bh^2`$ range from the low BBN value of 0.019 (Burles & Tytler 1998) to a high estimate of 0.035 from BOOMERANG data (Lange et al. 2000). Ultimately, the uncertainty with regard to simulated surface brightness is not less than a factor of three. The predicted fraction due to the WHIM is shown in the lower panel as a function of the observed ASCA and ROSAT backgrounds (symbols) and as a function of the total integrated XRB from our simulations (dotted line).

## 3. The Components of the X-ray Background

Deep X-ray images (Hasinger et al. 1998; Mushotzky et al. 2000; Giacconi et al. 2000) have shown that at least 75% of the soft XRB is accounted for by sources (including X-ray emission from hot gas in clusters). The percentage of the background remaining after currently known contributions from AGN and other resolved sources have been subtracted is shown in the lower panel of Figure 1, for extremum values of the XRB. A sizeable $`25\pm 6\%`$ of the latest measurement of the $`12`$ keV XRB from the ASCA LSS field, $`4.5\pm 0.33\times 10^{12}`$ erg $`\mathrm{s}^1\mathrm{cm}^2\mathrm{deg}^2`$(T. Miyaji et al. 2000, private communication), remains unresolved. Previous combined ROSAT and ASCA measurements of the XRB have yielded similar or lower average surface brightnesses, as is evidenced by the Barcons, Mateos & Caballos (2000) Bayesian fit to XRB measurements at 1 keV of $`6.63_{0.6}^{+0.4}\times 10^{26}`$ erg $`\mathrm{s}^1\mathrm{cm}^2\mathrm{sr}^1\mathrm{Hz}^1`$ (with $`90\%`$ confidence errors), which appears as the square in the upper panel of Figure 1. For the low value for the XRB of $`3.7\pm 0.53\times 10^{12}`$ erg $`\mathrm{s}^1\mathrm{cm}^2\mathrm{deg}^2`$(Gendreau et al. 1995) the remainder becomes $`9\pm 13\%`$, consistent with zero. Taking their upper limit from Chen, Fabian & Gendreau (1997), Mushotzky et al. (2000) conclude that at most $`10^{12}`$ erg $`\mathrm{s}^1\mathrm{cm}^2\mathrm{deg}^2`$of the soft XRB remains unresolved. This value is consistent our prediction of $`0.22\times 10^{12}`$ erg $`\mathrm{s}^1\mathrm{cm}^2\mathrm{deg}^2`$from the WHIM (or $`9\%`$ of the computed total) in the same energy band. When possible, we have estimated the error bars from information given in the above papers and by assuming that the error for the Hasinger et al. (1998) counts is comparable to that of Mushotzky et al. (2000). This has most probably led to an underestimate of the errors involved in the other quantities described.

In the $`0.52`$ keV band the predicted contribution of emission from gas to the total background is $`13\%`$. At first glance, this value is quite a bit lower than the $`35\%`$ from the intergalactic medium obtained by Croft et al. (2000). However this discrepancy can be explained by the inclusion in the Cen & Ostriker (1999) code of substantial feedback and our excluding the contribution from nearby clusters. We obtain an AGN contribution of $`86\%`$. The remaining $`1\%`$ of the emission comes from hot gas in nearby rich clusters and agrees remarkably well with the observed $`1.4\%`$ associated with ($`z0.2`$) Abell (1958) clusters (Soltan et al. 1996). As expected, in the $`210`$ keV band, the WHIM contribution falls to $`5\%`$ of the computed background. Metal line emission produces $`49\%`$ ($`11\%`$) of the $`0.52`$ keV ($`210`$ keV) WHIM contribution. The peak fraction occurs in the $`0.51`$ keV range where a spectral bump coincides with that seen in the ASCA and ROSAT data. The factor of two difference between the normalization of our total computed background and that of the observed background may be due to our low assumed value of $`\mathrm{\Omega }_b`$ or to an underestimate of the observed AGN formation rates which we used to compute the AGN spectrum. If we assume that the latter is indeed the case, we can compare the contribution from gas predicted by our simulations with the observed background. In the $`12`$ keV range, this results in a $`6\%`$ contribution from the WHIM (up to $`18\%`$ using the upper limit value of $`\mathrm{\Omega }_b`$).

If one accepts the latest value of the XRB as correct, then a portion of the soft XRB has yet to be explained. It is unlikely that all of the remainder will be resolved into AGN, since fainter AGN have harder spectra and the high spatial resolution (0.5 arcsec) of Chandra ensures that most of the sources have now been resolved. We know that most of the XRB is due to sources but there must also be a contribution from the gas whose presence has been established in clusters, groups and galaxies. In addition, the amount attributable to gas emission can only increase as flux and surface brightness observational limits are improved and the WHIM at the outskirts of groups and clusters is detected. It is therefore likely that the remaining portion of the XRB is due to a combination of gas and some (point) sources.

The current detections of and limits on the WHIM emission in the $`0.52`$ keV band can be compared with the integrated surface brightness of $`0.63\times 10^{12}`$ erg $`\mathrm{s}^1\mathrm{cm}^2\mathrm{deg}^2`$which we obtain from the simulated XRB gas spectrum. (This value is comparable to that quoted in Croft et al. (2000), if one takes into account a factor of 1.8 difference in $`\mathrm{\Omega }_b^2`$). Briel & Henry (1995) used ROSAT All-Sky Survey data to search for filaments between 40 Abell (1958) cluster pairs separated by less than $`25h^1`$ Mpc. They placed a $`2\sigma `$ upper limit on the filament X-ray surface brightness of $`1.1\times 10^{12}`$ erg $`\mathrm{s}^1\mathrm{cm}^2\mathrm{deg}^2`$in the $`0.52`$ keV band, using a plasma temperature of 0.5 keV, typical of those seen for the intercluster medium in the hydrodynamical simulations quoted above.

In a deep ROSAT PSPC observation around the galaxy cluster A2125, at $`z=0.25`$, Wang, Connolly & Brunner (1997) find evidence of low surface brightness X-ray emission from $`0.85`$ keV gas with an extent of $`1.7h^1`$ Mpc (11 arcmin). It appears correlated with an overdensity of galaxies and is probably part of a $`6h^1`$ Mpc (35 arcmin) superstructure which they liken to filamentary structures seen in simulations. Kull & Böhringer (1999) found evidence of X-ray emission extending over $`9h^1`$ Mpc, connecting three clusters in combined ROSAT PSPC and ROSAT All-Sky Survey observations of the core of the Shapley Supercluster. Both of these detections yield surface brightnesses that are a factor of 4 to 10 higher than the upper limit established by Briel & Henry (1995) and may be evidence of gas stripped during cluster interactions rather than true filament gas. However, the gas temperature and physical extent of the emission are consistent with the filamentary structures seen in our simulations. In their analysis of a deep ROSAT PSPC field, Scharf et al. (2000) find a half degree filamentary structure with a $`0.52`$ keV surface brightness of $`0.58\times 10^{12}`$ erg $`\mathrm{s}^1\mathrm{cm}^2\mathrm{deg}^2`$. This filament is also present in the form of an I Band galaxy overdensity. The X-ray surface brightness of this $`5\sigma `$ significance detection is well within the residual limits outlined above and is consistent with the computed average surface brightness.

## 4. Conclusions

Our prediction for the fractional X-ray contribution to the total XRB spectrum is consistent with the latest limits from AGN and other resolved sources in deep pointings from ROSAT (Hasinger et al. 1998) and Chandra (Mushotzky et al. 2000; Giacconi et al. 2000). The average integrated surface brightness from the gas of $`0.63\times 10^{12}`$ erg $`\mathrm{s}^1\mathrm{cm}^2\mathrm{deg}^2`$in the 0.5 - 2 keV band falls below the upper limits set by Briel & Henry (1995) and therefore, as of yet, the presence of gas between pairs of clusters cannot be ruled out. We are just reaching the flux limits necessary for the detection of this gas. The expected average flux levels lead us to predict that the WHIM could be observable with current missions such as Chandra and XMM. This possibility is explored in greater detail for XMM in Pierre et al. (2000) and for Chandra in Phillips et al. (2000). In the next decade, an effort should be made to quantify this WHIM component in clusters, groups, galaxies, filaments and/or sheets since a significant fraction of the baryons in the universe could be in this medium.

One of the major challenges in detecting the intermediate temperature gas in filaments will be to confirm the extragalactic origin of emission whose broad band spectral signature matches that predicted for the WHIM. The cross-correlation of the observed XRB and projected galaxy density distribution proves to be an ideal tool for this (L. A. Phillips, in preparation). The cross-correlation (CCF) flattens into a signature plateau at at scales of a few to ten arcmin (Refregier et al. 1997; Soltan et al. 1997). Soltan & Freyberg (2000) also see this feature in XRB autocorrelation calculations. The plateau in the CCF can be reproduced by the correlation of the X-ray emission from the WHIM in filaments with the simulated projected galaxy distribution (Phillips et al. 1999; Croft et al. 2000; L. A. Phillips, in preparation). If the gas is not detected at the predicted fluxes, the metallicity history of the WHIM in the simulations should be closely re-examined since a large fraction of the soft X-ray emission from this gas arises from metal line emission. Indeed, the peak fractional contribution from the WHIM occurs in the $`0.51`$ keV range where we predict a bump due to line emission coincident with a similar bump seen in the observed ASCA and ROSAT XRB spectrum.

The presence of the WHIM in groups of galaxies has already been established (Mulchaey et al. 1996). Groups that reside in galaxy filaments tend to have higher diffuse X-ray fluxes, indicating a higher density of gas (Mahdavi et al. 2000). Warm gas has also been detected in the halos of galaxies and in galaxy filaments (both in O VI absorption and in X-ray emission, see references above). Therefore the question is not whether there is a WHIM, but rather how much of it there is and where it is located. And once the answer to this question is known, we can move towards a better understanding of the physical state of most of the baryons in the universe.

We thank Ken Nagamine, Todd Tripp, Michael Strauss and Romeel Davé for fruitful discussions, as well as Takamitsu Miyaji for the use of his X-ray background spectrum data. This research was supported by NSF grants ASC-9740300 and AST-9803137. LAP was supported in part by an award from the NSERC (Canada) and a grant from Zonta International.