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# On phases in weakly interacting finite Bose systems

## I Introduction

The study of vortices in dilute atomic Bose–Einstein condensates has received a lot of attention in recent years. The condensate wave function of a vortex state exhibits a quantized circulation of its velocity field. This state may experimentally be formed, e.g., by “phase imprinting” techniques  or by directly transferring angular momentum to the condensating system . Current experiments are performed in the Thomas–Fermi regime of short coherence length. For a review of recent results see, e.g., . The regime of long coherence length is of interest as well. Indeed, harmonically trapped Bose systems with perturbatively weak repulsive interactions display a rich structure . At low ratios of angular momentum $`L`$ to particle number $`N`$, i.e. $`L/N1`$, the ground states are dominated by quadrupole and octupole excitations . The ground state structure changes smoothly until the one-vortex state $`L/N=1`$ is approached. In particular, the ground state wave function is known analytically and the ground state energy depends linearly on $`L`$ for $`L/N<1`$ . The one-vortex state is a Bose–Einstein condensed state where a macroscopic number of particles carries one quantum of angular momentum each . The structure of ground states changes considerably as further angular momentum is put into the system. Results from mean-field calculations exhibit changing symmetries of the developing vortex array which correspond to changes in the occupation numbers of single-particle states . This goes along with an increasing complexity of higher vortex states. The two-vortex state $`L/N=2`$, for instance, already exhibits a complicated structure and is dominated by excitations that carry 0, 2, and 4 units of angular momentum . Naturally, the question arises whether the observed changes in the condensate wave function structure and the formation of quantized vortices are associated with thermal phase transitions.

For the transition to the one-vortex state, the answer is affirmative. Wilkin et al.  showed that the one-particle reduced density matrix of the one-vortex state has one eigenvalue of order $`N`$ and thus meets a criterion for Bose–Einstein condensation in finite systems; see e.g. . The order of this phase transition, however, is not known until now. It is the main purpose of the present paper to classify this phase transition from its precursors in finite systems.

We recall that small systems do not exhibit phase transitions. Nevertheless, finite systems may display precursors of phase transitions. Recently, Borrmann et al. proposed that the distributions of zeros of the canonical partition function “reveal the thermodynamic secrets of small systems in a distinct manner” . We will apply this method to the case of weakly interacting Bose systems under rotation.

## II System and Method

We consider a system of $`N`$ bosons confined in a three-dimensional harmonic trap at total angular momentum $`L`$ and restrict ourselves to the sector of maximal magnetic quantum number, i.e. the particles are in the ground state with respect to excitations along the axis of rotation. The non-interacting system is highly degenerate. In what follows, we assume that the repulsive interaction between the bosons is perturbatively weak and simply lifts this degeneracy. This yields sets of now quasi-degenerate states that are separated by multiples of the oscillator spacing $`\mathrm{}\omega `$. Under these conditions, the level spacing between quasi-degenerate states is much smaller than the oscillator spacing. We are interested in the thermal properties of the system while keeping the angular momentum $`L`$ fixed. For temperatures that are smaller than the oscillator spacing, we may restrict ourselves to the lowest-lying set of quasi-degenerate states with approximate energies $`EL\mathrm{}\omega `$. (We set the ground state energy of the non-rotating system to zero.) Current experiments do not work within this low-temperature regime. We recall that the onset of Bose–Einstein condensation is already observed for temperatures $`kTN^{1/3}\mathrm{}\omega `$ . Below we find that quantitative results concerning thermal phase transitions are already determined by a few hundred low-lying levels. It thus seems that one can lift the requirement of perturbatively small temperatures without facing the inclusion of highly excited states for the problem under consideration. In the low-temperature regime, the Hamiltonian of the $`N`$-boson system with contact interaction reads

$$\widehat{H}=v_0\underset{i,j,k,l}{}\frac{(k+l)!\delta _{k+l}^{i+j}}{2^{k+l}\left(i!j!k!l!\right)^{\frac{1}{2}}}\widehat{a}_i^{}\widehat{a}_j^{}\widehat{a}_k\widehat{a}_l.$$
(1)
Here, $`v_0`$ denotes the strength of the contact interaction. The operators $`\widehat{a}_j^{}`$ and $`\widehat{a}_j`$ create and annihilate one boson in the single-particle state with angular momentum $`j`$ with $`j=0,1,2\mathrm{}`$, respectively. The operators

$$\widehat{N}=\underset{j}{}\widehat{n}_j$$
(2)
and

$$\widehat{L}=\underset{j}{}j\widehat{n}_j$$
(3)
count the number of particles and the quanta of angular momentum and have quantum numbers $`N`$ and $`L`$, respectively. We have used the number operators $`\widehat{n}_j=\widehat{a}_j^{}\widehat{a}_j`$. Basis states are denoted as $`|n_0,n_1,n_2,\mathrm{}`$, where $`n_j`$ denotes the number of particles with angular momentum $`j`$. Hilbert space is partition space, and the number of basis states is given by the number of partitions of $`L`$ into at most $`N`$ integers. The dimension of Hilbert space grows exponentially with increasing $`L`$ while being only mildly dependent on $`N`$ for $`L>N`$.

Let us now turn to a description of the method proposed in Ref.. It is based on an analysis that Grossmann and Rosenhauer made for macroscopic systems about three decades ago . The canonical partition function $`Z()`$ is evaluated at complex arguments $`=\beta +i\tau `$. Since $`Z(\beta )`$ is real, it suffices to consider the partition function $`Z()`$ for arguments in the upper complex plane. Two different phases of macroscopic systems are separated by a line of zeros which intersects the real axis at the critical temperature. Further information about the order of the phase transition is encoded in the slope of the line at the intersection point and the density of zeros close to the intersection point. This is physically plausible. We recall that thermodynamic quantities are given by logarithmic derivatives of the partition function and thus diverge at its zeros.

In finite systems, the line of zeros reduces to more or less closely spaced zeros that line up on a curve. Following Ref. , one then studies the behavior of the zeros with smallest imaginary part and of the underlying curve while increasing the number of particles. This allows one to predict the critical temperature and order of the phase transition in the infinite system. Furthermore, the shape of the curve or the presence of several such curves allows one to identify different “phases” already in finite systems. These techniques have been used to study precursors of phase transitions in Bose–Einstein condensates of ideal gases and atomic cluster . Further applications include the classification of a pairing phase transition in finite Fermi systems .

We compute the canonical partition function from the eigenvalues of the Hamiltonian (1). This requires the complete diagonalization of $`\widehat{H}`$ and is practicable only for moderately large values of $`L`$. Zeros of the partition function are determined conveniently by locating the poles of the specific heat, which is given by

$$C_v()=\frac{^2\mathrm{ln}Z()}{^2}.$$
(4)
For larger system sizes (i.e. larger values of angular momentum $`L`$), we restrict the computation to the lowest hundreds of levels and construct an approximate partition function only. Nevertheless, we find sufficiently well-converged zeros of the partition function close to the real axis of complex temperature $`=\beta +i\tau `$. This allows us to present quantitative data concerning the order of the phase transition in the macroscopic system.

## III Results

We investigate the transition to the one-vortex state first. To this purpose, we fix the number of particles to $`N=30`$ and fully diagonalize the Hamiltonian for several values of angular momentum in the range $`0.8<L/N<1.07`$ around the one-vortex state $`L/N=1`$. The partition function is computed from the obtained energy levels. Figure 1 shows the specific heat as a function of complex $`=\beta +i\tau `$. We restricted the plot to include only those zeros with smallest positive imaginary part. Figure 1 demonstrates that the zeros approach the real axis with increasing $`L`$. The closest encounter is found for the one-vortex state $`L=N=30`$. This is a precursor of the condensation into the one-vortex state in the infinite system and supports earlier results . We are particularly interested in the order of this phase transition. To this purpose, we consider the one-vortex state $`L=N`$ and compute eigenvalues of the Hamiltonian (1) for increasing values of particle number $`N`$. A complete diagonalization is prohibitively expensive for $`N`$ exceeding values of about 35. Instead, we restrict ourselves to the computation of the lowest-lying eigenvalues. These are used for an approximate construction of the partition function. We found numerically that its zeros with smallest positive imaginary parts are already sufficiently well converged when only a few hundred eigenvalues are included in the computation. We considered systems up to $`L=N=55`$, corresponding to a dimension of Hilbert space of the order $`4.5\times 10^5`$. The relevant eigenvalues are computed numerically using the ARPACK and PARPACK routines .

Figure 2 shows the distribution of poles in the complex plane of the specific heat at the one-vortex state for different system sizes. These plots are generated from the lowest-lying 300 eigenvalues. (Increasing the number of eigenvalues from 300 to 380 yields less than 1% change in the numerical results. Thus, the data is sufficiently well converged for our purposes.) It is clearly seen that the zeros line up and approach the real axis with increasing system size. The order of the phase transition is determined as follows . The distribution of zeros close to the real axis is approximately described by three parameters. Two of these parameters reflect the order of the phase transition, while the third indicates the size of the system. Let us assume that the zeros lie on a line. We label the zeros according to their closeness to the real axis. Thus $`\tau _1`$ reflects the discreteness of the system. The density of zeros for a given $`\tau _k`$ is given by

$$\varphi \left(\tau _k\right)=\frac{1}{2}\left(\frac{1}{_k_{k1}}+\frac{1}{_{k+1}_k}\right),$$
(5)
with $`k=2,3,4,\mathrm{}`$ A simple power law describes the density of zeros for small $`\tau `$, namely $`\varphi (\tau )\tau ^\alpha `$. If we use only the first three zeros, then $`\alpha `$ is given by

$$\alpha =\frac{\mathrm{ln}\varphi (\tau _3)\mathrm{ln}\varphi (\tau _2)}{\mathrm{ln}\tau _3\mathrm{ln}\tau _2}.$$
(6)
The final parameter that describes the distribution of zeros is given by $`\gamma =\mathrm{tan}\nu (\beta _2\beta _1)/(\tau _2\tau _1)`$.

In the thermodynamic limit, $`\tau _10`$, in which case the parameters $`\alpha `$ and $`\gamma `$ coincide with the infinite system limits discussed by Grossmann and Rosenhauer . For infinite systems, $`\alpha =0`$ and $`\gamma =0`$ indicates a first-order phase transition, while $`0<\alpha <1`$ and $`\gamma =0`$ or $`\gamma 0`$ indicates a second-order transition. For systems approaching infinite particle number, $`\alpha `$ cannot be smaller than zero since this causes a divergence of the internal energy. In small systems, with finite $`\tau _1`$, $`\alpha <0`$ is possible and is also indicative of a first-order transition. We show our results for $`\alpha ,\gamma ,\tau _1`$ in Table I for the $`N=40,50,52,55`$ systems. $`\tau _1`$ decreases with increasing system size as a power law. The fit is given by $`\tau _1=1.15N^{1.53}`$. From the table we note that $`\gamma `$ is nearly zero, and $`\alpha `$ is a small negative number for each system we studied here. The critical temperature $`kT_c`$ is approximately given by $`1/\beta _1`$. Our data suggests that $`kT_cv_0N^{1.1\mathrm{}1.4}`$. The $`N`$-dependence differs considerably from what is found for the ideal Bose gas in three-dimensional traps .

We thus find that the phase transition to the one-vortex state is first order. This is the main result of this work and combines well with previous results found for the energy and wave function structure. We recall that the ground state energy of the $`N`$-boson system exhibits a kink at $`L=N`$, and that the wave function structure changes strongly when increasing $`L`$ beyond $`N`$ .

Are there further indications of phase transitions as one approaches the two-vortex state? Mean-field results by Kavoulakis et al.  show that the structure of ground states changes considerably at certain ratios of $`L/N`$. At $`L/N1.75`$ the mean-field density develops a two-fold symmetry, and the expectation $`n_j`$ for occupation of single-particle orbitals with odd $`j`$ vanishes at $`L/N1.75`$. A second change in ground state structure occurs at $`L/N2.03`$ where the two-fold symmetry of the mean-field density changes into a three-fold symmetry. This is accompanied by a macroscopic occupation of single-particle orbitals with angular momentum $`j=0,3,6,9`$. We numerically computed the ground states of Hamiltonian (1) for systems with moderate particle numbers and confirm these results. We also computed the partition function from the fully diagonalized Hamiltonian for $`L=30`$ and $`N`$ ranging from 10 to 20. However, the distribution of zeros of the partition function does not indicate a thermal phase transition. In particular, we do not find zeros that start to line up and approach the real axis at the corresponding values of $`L/N`$. This is most likely due to the small system size.

Let us finally turn to Bose–Einstein condensates with attractive interaction. In this case, the ground state is the (Bose–Einstein condensed) state of the non-rotating system which executes pure center-of-mass motion, i.e. all angular momentum is carried by the motion of the center of mass . A direct calculation of the one-particle reduced density matrix indicates the presence of a condensate that is fragmented over several states . Only when the center-of-mass motion is separated does one find the condensation into one state . The distribution of zeros of the partition function does not indicate a phase transition. This remains the case also when considering systems of size $`L,N50`$.

In summary, we have investigated phases in weakly interacting Bose–Einstein condensates. The phase transition to the one-vortex state is first order, and its precursors are clearly seen in the distribution of zeros for systems comprising only 30 to 55 particles. The question about further phase transitions to states with several vortices remains open.

## IV Acknowledgements

We acknowledge discussions with G. M. Kavoulakis, B. Mottelson, and S. M. Reimann. TP acknowledges research support as a Eugene P. Wigner Fellow and staff member at the Oak Ridge National Laboratory (ORNL); this research used resources of the Center for Computational Sciences at ORNL. ORNL is managed by UT-Battelle, LLC for the U.S. Department of Energy under Contract DE-AC05-00OR22725.


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# Can Photoionization Squelching Resolve the Substructure Crisis?

## 1. Introduction

Cold Dark Matter (CDM) models with scale-invariant initial fluctuation spectra seem to provide a remarkably successful framework for explaining a broad range of observations pertaining to structure on scales larger than $`1`$ Mpc. Only recently have N-body techniques achieved the dynamic range necessary to resolve sub-structures within other bound, virialized structures. This new generation of very high resolution simulations has demonstrated that the presence of numerous sub-structures is an unavoidable consequence within the cosmological constant ($`\mathrm{\Lambda }`$) dominated “$`\mathrm{\Lambda }`$CDM” models that are now very widely used. Such simulations predict that dark matter halos with the mass of the halos of the Milky Way or M31 contain within their virial radius several hundred objects with internal velocities similar to those of observed Local Group dwarf galaxies (Klypin et al. 1999 (KKVP); Moore et al. 1999 (M99)), whereas only about 40 such galaxies are known in the Local Group. This result has come to be known as the “sub-structure problem”, and is a direct consequence of the relatively large amount of power on small scales in “standard” $`\mathrm{\Lambda }`$CDM models.

A variety of solutions have been proposed which solve the problem by modifying some basic tenant of the usual CDM canon. These include reducing the small-scale power by appealing to inflationary models with broken scale invariance (Kamionkowski & Liddle 2000), or changing the nature of the dark matter, e.g. Warm Dark Matter (Hogan & Dalcanton 2000; Bode et al. 2001), Self-interacting Dark Matter (Spergel & Steinhardt 2000), or Strongly Annihilating Dark Matter (Kaplinghat, Knox & Turner 2000). It appears, however, that each of these solutions may violate other constraints (Barkana, Haiman, & Ostriker 2001; Gnedin & Ostriker 2001; Hui 2001; Miralda-Escudé 2000). Therefore, in this paper, we investigate a less exotic solution.

It has long been appreciated that the accretion and cooling of gas by low mass halos will be “squelched” in the presence of a strong photoionizing background. This process has been studied by many authors using analytic approaches (Ikeuchi 1986; Rees 1986; Babul & Rees 1992; Efstathiou 1992; Shapiro, Giroux, & Babul 1994), 1-D hydrodynamic simulations (Haiman, Thoul, & Loeb 1996; Thoul & Weinberg 1996) and full 3-D hydro simulations (Quinn, Katz, & Efstathiou 1996; Weinberg, Hernquist, & Katz 1997; Navarro & Steinmetz 1997; Gnedin 2000). These studies concur in the conclusion that after reionization, gas accretion is suppressed in halos with virial temperature less than some characteristic value. The Jeans Mass is an obvious candidate for this critical mass scale (e.g. Rees 1986). However, because dark matter halos in CDM models have complex and varied formation histories, it is clear that some sort of time-averaged Jeans Mass is needed to determine the gas content of any given halo at any given time. The recent analysis of Gnedin (2000; G00), based on hydrodynamic simulations, suggests that the ‘filtering mass’, which corresponds to the length scale over which baryonic perturbations are smoothed in linear theory, provides a good description of this time-averaged, effective Jeans Mass. The net result is that halos with virial velocities $`\stackrel{<}{}`$ 30–50 km/s are able to collect a substantial amount of gas only if they collapse before the universe is reionized.

Bullock, Kravtsov, & Weinberg (2000; BKW00) investigated whether this effect could resolve the sub-structure problem, using a model based on estimates of halo collapse redshifts obtained from an extension of the Press-Schechter (1974) approximation, combined with constraints from N-body results. They concluded that a combination of tidal destruction and photoionization squelching could very naturally solve the sub-structure problem in the local group. However, their model did not treat gas physics or star formation explicitly, instead relying on a few phenomenological parameters to determine which halos would host observable galaxies. Chiu, Gnedin & Ostriker (2001) also concluded that photoionization squelching would reduce the slope of the galactic mass-function on the scale of dwarf galaxy halos, using scaling arguments based on the Press-Schechter approximation and results from the simulations of G00. It remains worthwhile, however, to investigate this process within the more detailed framework of semi-analytic galaxy formation modeling (e.g. Kauffmann, White, & Guiderdoni 1993; Somerville & Primack 1999; Cole et al. 2000).

In this paper, we use the recipe provided by Gnedin (2000), based on hydrodynamic simulations, to incorporate the effects of photoionization squelching into a semi-analytic model of galaxy formation. We examine the effect on the luminosity function of dwarf galaxies in Milky Way-sized halos and re-assess whether this process can solve the sub-structure problem. Our models are based on Monte Carlo merger trees and include treatments of sub-halo merging, gas cooling, star formation, supernovae feedback, chemical enrichment, and stellar population synthesis. In all the models presented here, we adopt a “standard” $`\mathrm{\Lambda }`$CDM cosmology with $`\mathrm{\Omega }_\mathrm{m}=0.3`$, $`\mathrm{\Omega }_\mathrm{\Lambda }=0.7`$, $`H_0=70`$ km/s/Mpc, and $`\sigma _8=1`$.

## 2. Semi-analytic Models

### 2.1. Merger Trees and Sub-structure

Our models are based on Monte Carlo realizations of merger trees constructed using the extended Press-Schechter formalism and the method of Somerville & Kolatt (1999). We track the decay of the orbits of sub-halos due to dynamical friction after being subsumed within a larger halo, and when a sub-halo reaches the center of the host halo, it is assumed to merge with the central object (for details see Somerville & Primack 1999; hereafter SP). We neglect tidal destruction of sub-halos, and also satellite-satellite merging. We would first like to check that this approximate treatment of the survival of substructure is in agreement with N-body simulations. Fig. 2.1 shows the cumulative velocity function predicted by the semi-analytic models for sub-halos that reside within the virial radius of a host halo with a mass of $`10^{12}M_{}`$. This is compared with the velocity function of sub-halos within 200 $`\mathrm{h}^1\mathrm{kpc}`$, for halos of similar mass from the N-body simulations of M99 and from recent simulations produced using a new version of the Adaptive Refinement Tree (ART) code (Kravtsov, Klypin, & Khoklov 1997) with variable mass particles. These simulations, which we will refer to here as ‘the ART simulations’, are similar to those presented in KKVP99, but have higher mass resolution. The results are binned in terms of $`V_{\mathrm{max}}`$, the circular velocity at the peak of the rotation curve, which is the quantity that is most robust for sub-halos identified in the simulations. We use the results of Bullock et al. (2001) to calculate $`V_{\mathrm{max}}`$ for the halos in the semi-analytic merger trees as a function of their mass and collapse redshift. The semi-analytic trees have been run with the same mass resolution as the N-body simulations (the smallest halos have a mass of $`10^7h^1M_{}`$).

We see that the semi-analytic merger trees produce more of the small sub-halos ($`V_{\mathrm{max}}\stackrel{<}{}20`$ km/s) than the ART simulations, as found by BKW00. The simulations of M99 have a factor of $``$2–3 more of the smallest halos than the ART simulations, but this is likely to be mainly due to the $`\mathrm{\Omega }_\mathrm{m}=1`$ SCDM cosmology used for the M99 simulations. The recent $`\mathrm{\Lambda }`$CDM simulations presented by Font & Navarro (2001) and Governato et al. (2001) both appear to have about 40 % less substructure than the SCDM simulations of M99, in good agreement with the ART results. Some of the discrepancy could also be due to differences in the algorithm used to identify sub-halos, or to the slightly different masses of the host halos.

BKW00 adopted a model for tidal destruction of sub-halos in order to bring the number of surviving sub-halos in the semi-analytic merger trees into agreement with that found in the ART simulations. While it is clear that tidal destruction of sub-halos does occur in the simulations (A. Kravtsov, private communication), and tidal destruction of dwarf galaxies does occur in the Local Group (we are witnessing it in progress in the case of the Sagittarius dwarf) it is still possible that dissipationless simulations overestimate the effects of tidal destruction relative to the real Universe, where the presence of baryons might make galaxies more robust to disruption. We opt to neglect the effects of tidal disruption in this work, for this reason and also because we wish to find out if the effects of photoionization squelching alone can solve the sub-structure problem.

### 2.2. Photoionization Squelching

The basic ingredients of the models used here, which include gas cooling, star formation, supernovae feedback, chemical evolution and stellar population synthesis, are described in detail in SP and Somerville, Primack & Faber (2001). We introduce one new ingredient, the squelching of gas infall by a photoionizing background. We assume that the Universe becomes reionized instantaneously at a redshift $`z_{\mathrm{ion}}`$, which we treat as a free parameter. If a halo collapses before $`z_{\mathrm{ion}}`$, it is allowed to capture a mass $`M_g=f_bM_{\mathrm{vir}}`$ of gas which subsequently becomes available for cooling and star formation, where $`f_b`$ is the universal baryon fraction and $`M_{\mathrm{vir}}`$ is the virial mass of the halo. After reionization, the gas captured by a halo is given by the fitting function provided by Eqn. 7 of G00:

$$M_g=\frac{f_bM_{\mathrm{vir}}}{[1+0.26M_C/M_{\mathrm{vir}}]^3}$$
(1)
where $`M_C`$ is a characteristic mass, which represents the mass of objects that on average retain 50% of their gas. We approximate $`M_C`$ as the mass corresponding to a halo with virial velocity $`V_C=50`$ km/s collapsing at redshift $`z`$ (see the appendix of SP). This provides a good description of the redshift dependence of $`M_C`$ found in the simulations of G00: $`M_C`$ increases from about $`10^8M_{}`$ at $`z=8`$ to several $`10^{10}M_{}`$ at $`z=0`$. Then, in agreement with the results shown in Fig. 2 of G00 and with previous results (e.g. Thoul & Weinberg 1996; Quinn et al. 1996), we find that halos with virial velocity $`V_c50`$ km/s are able to capture about half of the gas that they would accrete in the absence of a background, while halos with $`V_c<30`$ km/s are able to accrete very little gas, and halos with $`V_c>75`$ km/s are nearly unaffected.

We normalize our models to reproduce the V-band luminosity of the central Milky Way or M31-like galaxies in our “Local Group”, which we represent as two equal mass halos each with $`M_{\mathrm{vir}}=10^{12}M_{}`$. The luminosity function of dwarf satellite galaxies for an ensemble of such halos is shown in Fig. 2.2. The data points show the V-band luminosity function of dwarf galaxies in the Local Group from the compilation of Irwin111http://www.ast.cam.ac.uk/~mike/local\_members.html (see also Mateo 1998). We show the model results without supernovae (SN) feedback or squelching, and for the models including supernovae feedback according to the usual treatment (e.g. Kauffmann, White & Guiderdoni 1993) but without photoionization squelching. For the models without SN feedback, the fall-off at $`M_V\stackrel{<}{}13`$ is due to the fact that gas within these halos cannot cool efficiently via atomic processes, and we have not included cooling by molecules, which we expect to be inefficient (Machacek, Bryan & Abel 2001; Haiman, Abel & Rees 2000). Including SN feedback pushes this “bend” to fainter magnitudes. The models including supernovae feedback only, at a level similar to previously published semi-analytic models, fit the luminosity function of satellite galaxies down to about $`M_V15`$ (a bit fainter than the SMC), but overproduce fainter objects by a considerable factor — more than one order of magnitude for the faintest objects (such as Draco and Carina).

We now consider the effect of photoionization squelching as discussed above. Results are shown for three different values of the reionization epoch $`z_{\mathrm{ion}}`$, and are seen to be relatively insensitive to this parameter within a reasonable range of values (note that observations constrain the epoch of reionization to $`6z_{\mathrm{reion}}40`$, and most CDM-based modelling suggests that it lies in the range $`6z_{\mathrm{reion}}20`$; see the recent reviews by Shapiro (2001) and Barkana & Loeb (2001) and references therein). The large galaxies (the “Milky Way” and “M31”) are virtually unaffected, the LMC-sized galaxies are slightly affected, and galaxies smaller than the SMC are significantly affected by the presence of the background. The models now produce a reasonably good fit to the observed dwarf satellite luminosity function, especially given that tidal destruction may further reduce the number of satellites and that the observed LF may be incomplete for the faintest objects.

## 3. Discussion and Conclusions

We have compared the multiplicity function of sub-halos within a “Milky Way” sized halo predicted by semi-analytic Monte Carlo merger trees with that found in high-resolution N-body simulations. In agreement with BKW00, we found that semi-analytic merger trees predict more substructure than is found in the ART simulations. This is probably due to the tidal destruction of sub-halos in the N-body simulations, which we have chosen to neglect in the semi-analytic models. In continuing to assess the sub-structure issue, it will be important to determine the importance of tidal destruction of galaxies when the presence of baryons and the effects of baryonic contraction on the halo are included. The simulations of M99 have a factor of 2–3 more sub-halos than the ART simulations, which is probably due to the SCDM cosmology used by M99. The physical origin of this cosmology dependence (now confirmed by several groups) is not yet clear and should be investigated.

All previously published studies of which we are aware (e.g. M99; KKVP99; BKW00) have illustrated the sub-structure problem in terms of the circular velocity function of sub-halos and satellite galaxies. However, in order to do this the observed velocity dispersions of the dwarf satellite galaxies (which are predominantly spheroidal) must be converted to rotation velocities by making some assumptions about the geometry and the potential. It is generally assumed that the orbits are isotropic and the potentials isothermal (M99); however, this assumption is uncertain and probably inaccurate at the 50% level, as the velocity dispersions of many spheroids drop in the inner region where the dwarf velocity dispersions are measured (White 2000). In addition, the presence of baryons modifies the rotation curve, so that the peak velocity of the dark matter halo does not necessarily correspond with the peak velocity of the galaxy that forms within it. Moore (2001) and Font & Navarro (2001) attempt to account for these effects, and it appears unlikely that these corrections are large enough to make the sub-structure problem go away. Still, it is useful to present the comparison in a different form, in terms of the predicted and observed luminosity function of dwarf satellites. While many uncertain ingredients go into modeling galaxy luminosities, at least this quantity is directly observed and the selection effects are relatively well understood. We find, in agreement with the previous studies based on velocity functions, that models without any kind of feedback dramatically overpredict the number of dwarf satellite galaxies in the Local Group.

We find that the standard implementation of supernovae feedback generally used in semi-analytic galaxy formation models cannot, by itself, solve the substructure problem. If we increase the efficiency of SN feedback to the point where enough dwarf galaxies are suppressed to solve the sub-structure problem, the feedback produces too great an effect on larger galaxies, introducing a curvature in the Tully-Fisher relation that is incompatible with observations (see SP; also Moore 2001). Supernovae feedback might be made to work by introducing a more complicated mass dependence (rather than a power-law with a single slope), but this would have to be formulated in a purely ad-hoc way, and still might have difficulties with other observational constraints.

When we include the suppression of gas accretion by small halos after reionization in our semi-analytic model of galaxy formation, using a recipe based on state-of-the-art hydrodynamic simulations, we find that with no additional tuning, the model then produces very good agreement with the observed luminosity function of satellite galaxies in the Local Group. The properties of luminous galaxies in the models (which have been shown previously to agree well with observations) are nearly unaffected. The results are not very sensitive to the redshift of reionization, which we treat as a free parameter, although squelching is slightly less effective (leading to survival of more dwarf galaxies) when reionization is assumed to be later, because more galaxies are able to form before the squelching is turned on.

It should also be noted that here we have considered only one possible form of photoionization feedback, the suppression of gas collapse due to a uniform background produced by distant stars or quasars. We have neglected several further effects. Even gas that has managed to collapse might be “boiled” out of very small halos (Barkana & Loeb 1999; Haiman, Abel & Madau 2001). This effect is expected to be important mainly in the smallest of the halos harboring observable dwarf galaxies ($`V_c\stackrel{<}{}20`$ km/s). In addition, the presence of the background would reduce the efficiency of atomic cooling. Furthermore, the effect of turning on a quasar or starburst in close proximity to the dwarf halos (as for example, if our Galaxy or M31 underwent such episodes, which presumably they did at some point in the past, since both have bulges and probably black holes) might lead to a more dramatic form of photoionization feedback than the one we have considered here. Some combination of these effects might help to reduce the remaining excess of very faint ($`M_V8`$) satellites in our models.

For $`M_V\stackrel{<}{}10`$, the models with squelching come very close to producing the correct number of dwarf galaxies even neglecting the above processes and *with no tidal destruction*. If our treatment of the efficiency of squelching, supernovae feedback, and star formation is reasonably accurate, this suggests that tidal destruction may not be as efficient as dissipationless simulations (e.g. BKW00) would suggest — otherwise, our models would not produce *enough* dwarf galaxies! Similarly, models with reduced power on small scales (such as Warm Dark Matter) may actually suffer from a reverse sub-structure problem, and fail to produce a sufficient number of dwarf satellite galaxies.

The idea that we have explored here is very similar to that investigated by BKW00. However, BKW00 did not explicitly model any gas processes (cooling, star formation, SN feedback, etc) and so were forced to introduce a more simplified criteria to determine which sub-halos would harbor observable galaxies. While our models use simple recipes to represent the relevant physics, they do contain a self-consistent treatment of the many interwoven processes that determine the present day luminosity of a dwarf galaxy. We therefore consider it encouraging that our investigation has produced similar conclusions to those of BKW00.

While there have been suggestions that the photoionization phenomenon could be responsible for producing Lyman-limit QSO absorption systems at $`z>3`$ (Abel & Mo 1998) and bursting dwarf galaxies at $`z1`$ (Babul & Rees 1992), and the effects of photoionization feedback on the epoch of reionization itself have been explored (Haiman & Loeb 1997; Ciardi et al. 2001), there have been relatively few investigations connecting this physics with the properties of nearby dwarf galaxies, perhaps because most semi-analytic galaxy formation models have not included this effect to date. With this mechanism in place, we are now in a position to investigate many other properties of dwarf galaxies within this framework.

The squelching scenario has a number of interesting implications. It suggests that there are many barren halos floating around in the Local Group, as well as many very faint galaxies that lie below current detection limits. There has been some concern that these halos might heat the disk of our Galaxy beyond allowed observational limits, but recent studies (Velázquez & White 1999; Font & Navarro 2001) suggest that the halos in question are too small to do much damage. However, the prospects of detecting these halos via gravitational lensing or by direct detection if the Earth should happen to pass through one of them (Moore et al. 2001) remain intriguing possibilities.

## Acknowledgments

We thank B. Moore, A. Klypin, and A. Kravtsov for making the results of their simulations available to us electronically, and for useful discussions. We also thank R. Barkana for useful discussions, and T. Abel, J. Bullock, and A. Kravtsov for helpful comments on the manuscript. RSS is supported by a rolling grant from PPARC.


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# On the Role of Exchange Interaction in Magnetic Ordering and Conductivity of Manganites

## I INTRODUCTION

Electric and magnetic properties of doped manganites have received much attention of researchers in recent years because these compounds are thought to be promising for the use as high-sensitivity detectors of magnetic fields, in magnetic resistive memory, readout magnetic heads, and in devices based on the spin-polarized transport.

Of special interest among doped manganites are the compounds where transition to the magnetic ordering is accompanied by a metal-insulator transition.  The interplay of magnetic and transport properties in manganites has been explained for a long time in the framework of the double-exchange theory  which assumes electron exchange between neighboring $`Mn^{3+}`$ and $`Mn^{4+}`$ ions via an intervening $`O^2`$ ion.

However, experimental data obtained in recent years, such as an increase in $`T_c`$ under an external magnetic field , the effect of colossal magnetoresistance , coexistence of charge ordering and ferromagnetism , ferromagnetic ordering in the compounds $`CaCu_3MnO_{12}`$  and $`Tl_2Mn_2O_7`$  where there are no $`Mn^{3+}`$ ions, have thrown doubt on the concept of double exchange as a basic mechanism of ferromagnetic ordering and conductivity in manganites .

An important achievement in studies of doped manganites was detection of local distortions of the crystal lattice below $`T_c`$. It was shown that the actual crystal lattice strongly differs from the averaged lattice identified by X-ray diffraction. These experimental data have led to the conclusion on a close relation between magnetic and structural properties. However, the questions of how the local lattice distortions influence the electron structure and magnetic ordering and what is the origin of these distortions still remain unresolved.

The goal of this work was to show that the interplay between magnetic, transport, and structural properties can be explained if we take into account a strong covalency of bonding between manganese and oxygen ions and represent it as formation of one- electron $`\sigma `$ bonds between these ions. This concept of one-electron $`\sigma `$ bonding in manganites was earlier invoked to explain antiferromagnetic ordering.  In the paper it is shown that this concept can prove useful for explanation of ferromagnetic ordering as well. Moreover, this work has a more general purpose - to show by using manganites as an example how a strongly correlated state of the electrons responsible for magnetic ordering and high conductivity can arise via the exchange interaction between the electrons forming one-electron $`\sigma `$ bonds.

## II Covalent one-electron bonding

As for the type of chemical bonding, manganites occupy an intermediate position between ionic and covalent crystals. This is evidenced by the difference between electronegativities (1.55 for Mn and 3.44 for O according to Pauling ) equal to 1.9, which corresponds to approximately 40% of covalency and 60% of ionicity of bonding between Mn and O atoms. A strong covalency in manganites has been recently experimentally confirmed by high-resolution Mn $`k_\beta `$ emission spectroscopy.  Such covalency must manifest itself first of all in the behavior of valence electrons because covalency means sharing of electrons by adjacent ions, while ionicity requires that they be localized at anions. The question arises how the state of valence electrons in a solid when they are simultaneously localized at anions and shared with cations can be imagined.

For molecules, this type of bonding was regarded as a resonance state of structures with a purely covalent and purely ionic bond.  However, it is hardly probable that this approach is appropriate for solids because it is unlikely that a typical two- electron $`\sigma `$ bond considered in the resonance model is possible in an ionic crystal. In addition, it is difficult to represent ordering of different types of bonds. Probably, it would be more reasonable to treat such bonding as sharing of only one electron by each cation-anion pair.

Let us suppose that at high temperatures, ions are mainly coupled ionically, and this ionic bonding determines the averaged crystal structure of manganites with a high-symmetry lattice of ions. As temperature decreases, additional covalent one-electron $`\sigma `$ bonding between Mn and O ions appears. In this case the crystal lattice undergoes distortions, and the crystal symmetry is lowered. Appearance of covalent one-electron bonding between ions means a partial substitution of ionic bonding by covalent bonding, i.e., the Coulomb interaction energy between ions is partly substituted by the covalent bonding energy. As a result, the bonding energy increases, which is evidenced by a decrease in the distance between ions which turns to be less than the sum of the ionic radii. Let us treat this covalent one-electron bonding as a set of localized bonds between neighboring ions.

If Mn ions are surrounded by oxygen octahedra, they can use six equivalent hybrid $`3d^24s4p^3`$ orbitals for covalent bonding. Since the energy level of these hybrid orbitals is higher than the level of $`d_{xy}`$, $`d_{yz}`$, and $`d_{xz}`$ orbitals, which results from both admixing of a higher-energy 4p state and splitting of d levels in the octahedral crystal field, it can be supposed that the difference between the energy levels of hybrid and unmixed orbitals is sufficiently large to make the transformation of $`Mn^{3+}`$ ion from the high-spin state $`(t_{2g}^3e_g^1)`$ into the low-spin state $`(t_{2g}^4)`$ energetically favorable. As a result, all six hybrid orbitals of $`Mn^{3+}`$ ions will be empty and can be available for covalent bonding. The probability of the low-spin state for $`Mn^{3+}`$ ion in manganites was also discussed in Ref..

An $`O^2`$ ion in the manganite structure is also octahedrally surrounded, two of the surrounding cations being Mn ions lying along one of the axes of the octahedron. To provide one-electron $`\sigma `$ bonding with these cations, the $`O^2`$ ion can use its 2p orbital ortwo hybrid 3s2p orbitals pointed to Mn ions. The use of the 2p orbital has already been discussed , but the possibility of 3s2p hybridization needs an explanation. Due to a large difference between energies of 2p and 3s levels in an oxygen atom, the 3s2p hybridization is thought to be impossible. However, for the $`O^2`$ ion that is in the ionic crystal lattice, there are some factors that facilitate such hybridization. First, the energy level of the 2p state in the $`O^2`$ ion is higher than that in the oxygen atom, which is evidenced by a difference between the ionic oxygen radius and its atomic radius (1.26A and 0.9A, respectively). Second, $`O^2`$ ion located between two manganese ions with a high positive charge and relatively small ionic radius will be strongly polarized by these two cations. The energy of this polarization can partly compensate for the energy spent on excitation of two 2p electrons into the 3s2p state. At last, the energy spent on hybridization will also be compensated by the total gain in energy due to formation of a stronger bonding between ions.

Let us compare covalent one-electron bonds involving 2p and 3s2p orbitals of the $`O^2`$ ions. We designate them as $`1e\sigma `$ and $`1e\sigma ^{}`$, respectively. Since the $`1e\sigma `$ bond is formed by a shorter 2p orbital, its energy will be higher than the energy of the $`1e\sigma ^{}`$ bond, and therefore the $`1e\sigma `$ bond is more favorable for the crystal stability. However, the $`1e\sigma `$ bond can be formed only if a cation and an anion can closely approach each other to provide overlapping of the cation orbital with the 2p anion orbital. The possibility of such overlapping depends on the deformabilily of the ionic lattice and also on the filling of the cation electron shell. Nonsphericity of the electron shell of a $`Mn^{3+}`$ ion in the low-spin state resulting from the presence of a $`t_{2g}`$ electron pair in one of the planes hinders a close approach of this cation and anion in this plane because of a strong repulsion between the electron pair and the anion. For this reason, in this plane, only overlapping with a more extended 3s2p orbital and, hence, formation of only $`1e\sigma ^{}`$ bond is possible.

Another difference between $`1e\sigma `$ and $`1e\sigma ^{}`$ bonds is the spin state of the anion electron pair that forms these bonds. For $`1e\sigma `$ bonds, the pair is in the singlet state because it belongs to one p orbital (Pauli exclusion principle); and for $`1e\sigma ^{}`$ bonds the pair is in the triplet state because in hybridization two electrons of one 2p orbital must pass into two hybrid 3s2p orbitals, and their spins must be parallel according to the Hund’s rule because these orbitals are orthogonal and share a space.

## III Spin ordering of electrons and electron crystallization

If two one-electron bonds are formed by one anion with two neighboring cations, the spin state of the anion electron pair participating in covalent bonding will determine the orientation of electron spins in the hybrid orbitals of these cations (Fig. 1).

Each cation which has six hybrid orbitals can share six electrons - one electron from each of six neighboring anions. The spins of all these six electrons must be parallel according to the Hund’s rule for hybrid $`d^2sp^3`$ cation orbitals. Therefore, if all the anions and all Mn ions are coupled by one-electron $`\sigma `$ bonds, all the electrons taking part in formation of these bonds will be spin-ordered (Fig. 2).

Since the Hund’s rule reflects the dependence of the electron system energy on the mutual spin orientation, and such dependence is equivalent to the existence of an additional interaction between electrons which is known as the exchange interaction, it can be stated that spin ordering of the electrons participating in covalent bonding results from two exchange interactions - between electrons in the anion orbital (or two hybrid orbitals) and between electrons in the cation hybrid orbitals. In the case of one-electron bonding, the sign of the exchange interaction in the cation hybrid orbitals is always positive, while the sign of the exchange interaction between the electrons in the anion orbitals, as shown above, can be positive (a triplet pair) or negative (a singlet pair) (Fig. 2).

In the case of positive signs of the exchange interactions between electrons in both the anion and cation orbitals, the spins of all the electrons participating in one-electron bonding will be parallel, i.e., there will be 100-% spin polarization of the electrons. In the case of different signs of the exchange interactions in cation and anion orbitals, the electrons are also spin-ordered, but their spins are antiparallel in the hybrid orbitals of neighboring cations.

The exchange interaction leads to not only spin ordering of electrons, but also spatial ordering of electrons relative to each other, which can probably be regarded as the electron lattice formation (electron crystallization). On the whole, such ordering resembles the Wigner crystal formation , but there is a significant difference. The Wigner crystal involves a purely Coulomb repulsion between electrons in a uniform field of positive charge. As a result, the Wigner crystal is possible only at low temperatures when the Coulomb repulsion energy exceeds the electron thermal energy, and at these temperatures the crystal acquires the ability to displace as one unit (in the absence of the inhomogeneities that cause pinning). In the case of formation of the electron lattice considered in this paper, the repulsion energy is a sum of the purely Coulomb repulsion energy and the repulsion energy due to the exchange interaction between electrons with parallel spins in hybrid orbitals. This leads to electron crystallization at such high temperatures as $`T_c`$. Moreover, participation of electrons in covalent bonding causes localization of the electron lattice. The energy of this localization depends on the one-electron bond energy. Hence, the electrons participating in one-electron bonding between ions are in a strongly correlated state \- they form a localized spin-ordered electron lattice.

It is important to mention here that magnetic ordering of inherent magnetic moments of cations resulting from unpaired $`t_{2g}`$ electrons will be established via a purely magnetic interaction between these magnetic moments and the magnetic moment of the spin-ordered electron lattice. In the case of its 100-% spin polarization (spins are parallel), magnetic moments of all the cations will be ordered ferromagnetically.

## IV Conditions for conductivity

Let us consider now the conductivity in the system of strongly correlated electrons. It is likely that, in the presence of strong repulsion between spin-polarized electrons (there cannot be two electrons with parallel spins in one orbital), the only possible conductivity mechanism is displacement of the electron lattice as one unit, i.e., collective transport of all the electrons from one localization site to a neighboring site. However, such collective displacement is possible if transition of any electron to a hybrid orbital of a neighboring cation is not forbidden by the spin direction in this orbital and if the localization energy of the electron lattice is not too high. The first condition can be satisfied if the electron lattice is spin- polarized (spins are parallel). The second condition can be fulfilled by a decrease in the extent of overlapping between cation and anion hybrid orbitals, i.e., by an increase in the distance between $`Mn^{3+}O^2Mn^{3+}`$ ions, for instance, due to local crystal lattice distortions observed in doped manganites. However, these conditions contradict each other because weakening of covalent bonds and their breaking due to thermal ion vibrations can lead to a loss of spin ordering between electrons of neighboring cations since spin ordering is created and maintained just by the covalent bonding. Nevertheless, these two conditions can be satisfied simultaneously if the functions of conductivity and maintaining spin ordering are fulfilled by different parts of the spin-polarized lattice. This can be realized if a part of the spin-polarized electron lattice (spins are parallel) remains three-dimensional and localized, while the second part has a lower localization energy and is characterized by a lower dimensionality. The first part of the lattice will provide spin ordering, and the second part will provide conductivity. Below we show how such a separation of functions between the parts of a spin-polarized electron lattice is achieved in doped manganites.

## V Magnetic ordering and conductivity in doped and undoped manganites

Let us now see how magnetic ordering and conductivity of doped and undoped manganites can be explained in the framework of the suggested model.

An experimentally observed perovskite cubic lattice of $`CaMnO_3`$ with a distance between ions less than the sum of ionic radii (1.865A and 1.93A, respectively) and antiferromagnetic ordering of $`Mn^{4+}`$ ions below $`T_N`$ are in good agreement with the assumption of six equivalent $`1e\sigma `$ bonds formed by each $`Mn^{4+}`$ ion with six surrounding anions via electrons of singlet pairs. The electrons participating in covalent bonding and being in hybrid cation orbitals prove to be mutually ordered, and their state can also be regarded as an electron lattice. The electron lattice in this case consists of electron octahedra surrounding $`Mn^{4+}`$ ions, the electron spins being parallel in each octahedron and antiparallel with respect to a neighboring octahedron below $`T_N`$. Conductivity is impossible because of different spin orientations of electrons in the orbitals of neighboring cations, consistent with experimental data.

As to $`LaMnO_3`$, the nonsphericity of the electron shell of $`Mn^{3+}`$ ion, as discussed above, results in formation of four $`1e\sigma ^{}`$ bonds in the plane where a pair of $`t_{2g}`$ electrons is located, which must lead to ferromagnetic ordering between neighboring cations. In the direction normal to this plane, two $`1e\sigma `$ bonds can be formed, and their formation will result in antiferromagnetic ordering between neighboring cations. The orientational ordering of $`Mn^{3+}`$ ions in one plane provides ferromagnetic ordering of all $`Mn^{3+}`$ ions in this plane, the magnetic ordering between such planes being antiferromagnetic. Precisely this magnetic ordering was observed experimentally below $`T_N`$.  The orientational ordering of $`Mn^{3+}`$ ions in one plane decreases the deformational energy of the ionic lattice when bonds of different lengths ($`1e\sigma ^{}`$ and $`1e\sigma `$) are formed. Such ordering is energetically favorable.

The spin-ordered electron lattice in this case consists of electron octahedra surrounding $`Mn^{3+}`$ ions. The electron spins are parallel in all the electron octahedra lying in the plane of the orientational ordering of $`Mn^{3+}`$ ions and are antiparallel to the spins of the electron octahedra in the neighboring planes. $`LaMnO_3`$ is an insulator , and this is likely to be due to both a high localization energy of the electron lattice in the absence of local lattice distortions and a high dimensionality of the spin-polarized lattice (two-dimensional).

In doped manganites which contain both ions ($`Mn^{3+}`$ and $`Mn^{4+}`$), each ion will tend to form the bonds similar to those in undoped compounds. As to coupling between $`Mn^{3+}`$ and $`Mn^{4+}`$ ions via an intervening anion, the $`1e\sigma `$ bond is likely to be formed between them because it is energetically favorable, and both ions are capable of forming such bond. Such bonding leads to antiferromagnetic ordering of $`Mn^{3+}`$ and $`Mn^{4+}`$ ions. Since a $`Mn^{3+}`$ ion cannot form all the six $`1e\sigma `$ bonds, this ion will be coupled with the neighboring $`Mn^{3+}`$ ions by $`1e\sigma ^{}`$ bonds to result in ferromagnetic ordering between these ions. Between $`Mn^{4+}`$ ions, $`1e\sigma `$ bonds can be formed if deformation of the ionic lattice (or local distortions) is possible, or $`1e\sigma ^{}`$ bonds can be formed if such deformation is impossible.

In this respect, the $`A_{0.67}B_{0.33}MnO_3`$ chemical composition of doped manganites is unique because it makes possible such charge ordering of $`Mn^{3+}`$ and $`Mn^{4+}`$ ions in which each $`Mn^{4+}`$ ion is surrounded by six $`Mn^{3+}`$ ions, and each $`Mn^{3+}`$ ion is surrounded by three $`Mn^{4+}`$ ions and three $`Mn^{3+}`$ ions. In the latter case the cations with equivalent oxidation states are the nearest neighbors (Fig. 3).

Such charge ordering is accompanied by formation of $`1e\sigma ^{}`$ bonds between all $`Mn^{3+}`$ ions via intervening $`O^2`$ ions and $`1e\sigma `$ bonds between all $`Mn^{3+}`$ and $`Mn^{4+}`$ ions. $`Mn^{4+}`$ ions are not the nearest neighbors to each other. In Fig. 4, two sublattices formed by $`Mn^{3+}`$ and $`Mn^{4+}`$ ions separately due to their charge ordering can be seen. The electron lattice involves in this case two electron sublattices with antiparallel spins.

One sublattice consists of electron octahedra around $`Mn^{4+}`$ ions, and the other electron sublattice comprises electron octahedra around $`Mn^{3+}`$ ions. Such classification of the electron sublattices is convenient for determining the type of magnetic ordering of intrinsic magnetic moments of cations. In this case $`Mn^{3+}`$ ions themselves and also $`Mn^{4+}`$ ions themselves are ordered ferromagnetically, and antiferromagnetically with respect to each other.

On the other hand, to explain conductivity, it would be useful to divide the spin- ordered electron lattice into two sublattices formed by electrons of triplet pairs and singlet pairs of anions separately because there is a difference between the localization energies of the electrons of these pairs due to the different energies of $`1e\sigma ^{}`$ and $`1e\sigma `$ bonds. Such division of the electron lattice allows one to separate out the less localized part of the spin-polarized electron lattice (spins are parallel). With such choice of electron sublattices, it should be borne in mind that the spins of all the electrons in the sublattice of singlet pairs are ordered. As can be seen from Figs. 3 and 4, the electron sublattice of triplet pairs is a part of the spin-polarized lattice consisting of electron octahedra around $`Mn^{3+}`$ and turns out to be quasi-one-dimensional in each $`MnO_2`$ plane. It is arranged between the nearest $`Mn^{3+}`$ ions in the form of stripes parallel to each other. These stripes are separated from each other in each $`MnO_2`$ plane by the stripes of the electron sublattice of singlet pairs. Since formation of short $`1e\sigma `$ bonds between $`Mn^{3+}`$ and $`Mn^{4+}`$ ions results in an increase in the distance between $`Mn^{3+}`$ ions (local distortions, see Fig. 5), which is accompanied by the decrease in overlapping and hence in the energy of the $`1e\sigma ^{}`$ bond, it can be supposed that in this manganite composition the electron sublattice of triplet pairs becomes less localized and more capable of displacing from one localization site to a neighboring one compared with $`LaMnO_3`$.

The electron sublattice of singlet pairs remains insulating and preserves spin ordering because a half of electrons of this sublattice is in the hybrid orbitals of the same $`Mn^{3+}`$ ions in which the electrons of triplet pairs are present (Fig. 3).

## VI Ferromagnetic fluctuations and the effect of external magnetic field on $`T_c`$

The above discussion shows that $`T_c`$ is the temperature of formation of a spin-ordered electron lattice incorporating a spin-polarized electron sublattice of triplet pairs. It is evident that this temperature must be preceded by a temperature interval in which electrons are still localized in anion orbitals. Though anions polarized by Mn ions can be in the 3s2p hybridization state, static overlap of these hybrid orbitals with hybrid cation orbitals is absent. Only dynamic overlap due to thermal vibrations of ions is possible. It can manifest itself as short-range ferromagnetic fluctuations observed experimentally.  In this temperature interval, the ”foundation” for formation of static $`1e\sigma ^{}`$ bonds and a spin-polarized sublattice via a gradual spin polarization of all the electrons of triplet pairs is laid. Apparently, application of an external magnetic field, which aligns spins of all unpaired electrons, can accelerate the formation of the spin-polarized electron sublattice and thereby increase $`T_c`$. For similar reasons, $`T_c`$ must also increase with increasing magnetic field.

In terms of the suggested model, the effect of colossal magnetoresistance is the consequence of the change of the conductivity mechanisms, i.e., from the thermally activated conductivity typical of a solid with preferentially ionic bonding to the metallic conductivity caused by a spin-polarized electron sublattice of triplet pairs whose formation is facilitated by the external magnetic field.

## VII Conclusions

The above consideration shows that the origin of a strongly correlated state of electrons in manganites responsible for magnetic ordering and metallic conductivity can be understood if we represent a strong covalency of chemical bonding between manganese and oxygen ions by formation of one-electron $`\sigma `$ bonds between these ions. These bonds are formed by overlapping of empty $`d^2sp^3`$ orbitals of Mn ions with orbitals of anions. Each anion can form two one-electron $`\sigma `$ bonds with two neighboring Mn ions. It is assumed in this case that a $`Mn^{3+}`$ ion prefers a low-spin state and can polarize an anion thereby causing its 3s2p hybridization which is accompanied by transition of its singlet electron pair into a triplet state. Both singlet and triplet pairs can participate in covalent one-electron bonding, which results in different spin ordering of electrons in hybrid orbitals of neighboring cations. The correlated state of the electrons forming one-electron $`\sigma `$ bonds arises due to the exchange interaction between electrons when they are simultaneously in hybrid orbitals of a cation and in the p orbitals (or hybrid 3s2p orbitals) of anions. This exchange interaction leads to both the spin ordering and spatial ordering of electrons, which can be represented as formation of a spin-ordered electron lattice. The conductivity produced by such an electron lattice depends on the type of spin ordering, lattice dimensionality, and the localization energy, which in turn depends on the one-electron $`\sigma `$ bond energy.

The model of chemical bonding suggested here can prove useful for explanation of high-$`T_c`$ superconductivity in cuprates. In , an attempt was made to represent the bonding between Cu and O ions whose covalency is stronger than in manganites through a resonance state of ionic and ordinary two-electron $`\sigma `$ bonds (in analogy with bonding in molecules ). In spite of the fact that such representation led to the model of additional $`\pi `$ bonding between Cu and O ions which qualitatively explained high-$`T_c`$ superconductivity, many assumptions of this model remained unclear and even controversial.

The use of the notion of one-electron $`\sigma `$ bonding to explain superconductivity can also clarify the picture of the behavior of correlated electrons in cuprate superconductors. With this notion, it becomes clear that, in the $`CuO_2`$ plane, formation of one-electron $`\sigma `$ bonds is also possible. The anion is also subjected to polarization by cations. However, for superconductivity, the anion polarization in a strongly asymmetric crystal field normal to the $`CuO_2`$ plane proves to play a decisive role. It promotes the 3s2p hybridization of an anion and forces its triplet electron pair to transfer from two hybrid orbitals into one hybrid orbital pointed to a positively charged plane (for instance, $`Y^{3+}`$). In this case, the spin state of this electron pair is transformed from a triplet state into a singlet one. These singlet pairs which are in the 3s2p hybrid orbitals of anions form a localized electron lattice. Displacement of this lattice, i.e., collective displacement of singlet pairs, can occur after $`\pi `$ overlapping of these 3s2p hybrid orbitals with empty hybrid orbitals of $`Cu^{3+}`$ ions and formation of delocalized $`\pi `$ orbitals. Thus the pairing mechanism in high-$`T_c`$ superconductors can be the exchange interaction between electrons in a hybrid orbital of an anion polarized by a strongly asymmetric crystal field. In this model, the mechanism of superconductivity is displacement of the lattice of electron pairs in delocalized $`\pi `$ orbitals that belong to the chains of $`Cu^{3+}`$ and $`O^2`$ ions in the $`CuO_2`$ plane.


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# Dwarf Galaxies and Star Clusters in Tidal Tails

## 1. Introduction

First we want to stress the new definition for Tidal Dwarfs given by Weilbacher & Duc (2001), who – following Duc et al. 2000 – define a Tidal Dwarf Galaxy (TDG) as a self-gravitating entity of dwarf-galaxy mass built from tidal material expelled during interactions. To prove that a given ‘knot’ in or near a tidal feature is a real TDG, one therefore has to show several properties:

* Luminosity (and therefore mass) of a dwarf galaxy.
* Association with the interacting system.
* Internal kinematics decoupled from the environment.
* Not a preexisting dwarf galaxy involved in the interaction.
* The object has to have a possible future existence to call it an ‘entity’.

The luminosity and the scale length of objects that this definition allows therefore clearly separate TDGs from young or old star clusters, which do not show rotation and have lower luminosities and masses.

Typical interacting systems where gas-rich, star-forming TDGs are believed to have been found are NGC 7252 (Hibbard & Mihos 1995), Arp 242 (Duc et al., in prep), Arp 105 (Duc et al. 1997), and Arp 245 (Duc et al. 2000). A formation sequence outlining a possible way these objects are formed, has been given by Weilbacher & Duc (2001) based on existing numerical simulations: The condensations can first appear in the gaseous or stellar component, and the other component is then pulled into the potential well. Collapsing gas could then initiate the observed star formation in these tidal dwarfs.

## 2. Summary of TDG properties

We have analyzed a sample of 14 interacting systems (10 of them are discussed in Weilbacher et al. 2000). About 40 knots in the tidal features of these systems show properties, which make them plausible TDG candidates. They are brighter than $`11`$mag in $`M_B`$, mostly low surface brightness, and are extended. This differentiates them from possible clusters and meets the first property listed above. They also show blue colors, and are sometimes the bluest part of the entire interacting system, which hints to active star formation. Indeed they also show emission line spectra, which enables us to measure the redshift and the metallicity in the gas phase. Several of these TDG candidates also show signs of dynamics on their 2D spectra, indicative of internal kinematics.

From comparison with evolutionary synthesis models (see Weilbacher & Fritze-v.Alvensleben 2001) we were able to estimate burst ages and strengths. It was seen from the broad-band colors that these TDG candidates indeed experience strong bursts increasing the stellar mass by up to 20%, and have young burst ages up to 20 Myrs (Weilbacher et al. 2000). Preliminary mass estimates based on optical luminosities show stellar masses of several $`10^7`$ M or more.

An indication of ‘normal‘ star formation in TDGs has been found by Lisenfeld et al. (2001) by the detection of CO in 8 of 11 TDGs of interacting systems in a different sample, with an efficiency similar to that in spiral galaxies.

## 3. Structures in Tidal Tails

Looking at images of tidal features one can see different structures in the tails (see also Hibbard 2001):

1. TDG(s): One or two tidal dwarfs per systems seem to be located preferably at the end of tidal tails. Not much structure elsewhere in the same tail. Examples: NGC 7252W (Knierman et al. 2001), AM 1159-530 (Weilbacher & Duc 2001).
2. SSCs/GCs: Lots of star clusters are seen along the tidal tail, age and association not well restricted. Example: Western tail of NGC 3256 (Knierman et al. 2001).
3. Extended knots: A chain of extended knots are seen along the tidal tail. They are not resolved into HII regions, and therefore represent an intermediate case. Example: Both tails of AM 1353-272 (Fig. 1).

The creation of TDGs (case 1) has been successfully modeled dynamically, although the difference between stellar (Barnes & Hernquist 1992) and gaseous (Elmegreen et al. 1993) condensations is observationally not as pronounced as in the models. The creation of SSCs or GCs (case 2) in tidal tails is not understood, as it is generally thought that high gas densities are necessary to produce such dense clusters. It is not clear, how the intermediate case (3) relates to the other phenomena. Is is possible that some of these knots merge to form a massive TDG, or are they dispersed quickly by the tidal field?

## 4. Star formation and morphology of TDGs

TDGs do actively form stars and contain molecular gas, but what are the morphological properties of this star formation? From optical observations, especially the highly resolved HST images (Knierman et al. 2001), one could classify two different types of TDGs, from the viewpoint of star formation and HII regions:

1. Dense and knotty: Several clusters or HII regions are visible in TDGs. Examples: AM 1159-530 (Fig. 2), NGC 7252W.
2. Large and LSB: A few clusters are seen on an extended very low surface brightness object, where the association of the clusters to the objects may also be accidental. Example: NGC 7252E.

Type a shows internal kinematics and therefore represents true TDGs, while this has not been shown without ambiguity for type b, where more and deeper spectroscopic data is needed to prove decoupled dynamics. Although the morphology of these two types is quite different, their colors are similarly blue, and their spectra both show strong emission lines, implying comparable star formation activity. A possible evolutionary connection between these two “classes” of TDGs must remain speculative for the moment.

## 5. Conclusions

We see 3 modes of young structure in tidal tails, and two types of TDGs. It is currently not known, what effects are responsible for these different structures. Especially the possibility of forming GCs/SSCs in tidal tails is uncertain. New dynamical models are therefore needed, which provide high enough resolution to resolve small scale structures along the tails and in the TDGs themselves, and possibly include SF and feedback to study how SF takes place in TDGs, and which repercussions stellar winds and supernovae have on the (future) evolution of TDGs.

From the observational point of view spectrophotometric analysis of TDG (candidates) is needed, to confirm more ‘knots’ as TDGs. Further one needs to constrain total and stellar mass, and the burst properties and possible fading using a wider wavelength range. Integral field spectroscopy is needed to measure internal kinematics of TDGs and assess their stability.

Acknowledgements. PMW thanks the Astronomische Gesellschaft and the organizers for generous support. We also thank J.E. Hibbard for stimulating discussion.

## References

Barnes, J.E., Hernquist, L. 1992, Nature, 360, 715

Duc, P.-A., Brinks, E., Springel, V., Pichardo, B., Weilbacher, P., Mirabel, I.F. 2000, AJ, 120, 1238

Duc, P.-A., Brinks, E., Wink, J.E. & Mirabel, I.F. 1997, A&A, 326, 537

Elmegreen, B.G., Kaufman, M., Thomasson, M. 1993, ApJ, 412, 90

Hibbard, J.E., Mihos, J.C. 1995, AJ, 110, 140

Hibbard, J.E. 2001, Meeting on Tidal Dwarf Galaxies,
http://www.uni-sw.gwdg.de/$``$paduc/TDGmeet/hibbard/Saclay01/

Knierman, K.A., Gallagher, S.C., Charlton, J.C., Hunsberger, S.D., Whitmore, B., Kundu, A, Hibbard, J. E., Zaritsky, D. 2001, AJ, submitted

Lisenfeld, U., Braine, J., Vallejo, O. Duc, P.-A., Leon, S., Brinks, E., Charmandaris, V. 2001 in Modes of Star Formation and the Origin of Field Population, ed. E.K. Grebel & W. Brandner (astro-ph/0101319)

Weilbacher, P.M., Duc, P.-A., Fritze-v.Alvensleben, U., Martin, P., Fricke, K.J. 2000, A&A, 358, 819

Weilbacher, P. & Fritze-v.Alvensleben, U. 2001 in Dwarf Galaxies and their Environment, ed. K.S. de Boer, R.-J. Dettmar, U. Klein, in press (astro-ph/0105272)

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## Discussion

B. Elmegreen:  There are two different processes by which tidal tails can make dwarf galaxies, on in which the tidal arm is unstable to collapse along its length, making beads of clusters as in a spiral arm, and another is the formation of a giant HI cloud at the end of the arm as a result of movement of the entire outer HI disk. In addition all the clusters initially at intermediate radius in the pre-collision galaxy, will end up in the tidal arm too, because of the tidal motions.
P. Weilbacher:  I agree that in principle one can explain how these different structure can be formed in tidal tails. But simulations only show one of these effects at a time, while in real interacting systems, like e.g. NGC 7252, we see two or more different “types” of TDGs. Models can currently not explain why we see which structures in which tails created during which kind of encounter geometry. That’s why I think we need dynamical high resolution models.

S. Sakhibov:  What is the range of metallicities in studied objects?
P. Weilbacher:  TDGs have metallicities of $`Z1/3Z_{}`$ or $`\mathrm{log}O/H8.5`$.

T. Armandroff:  The galaxies of the Local Group and nearby groups define a relation between absolute magnitude and mean metallicity, with very few outliers. Are you using this relation as a diagnostic for tidal dwarfs? And can you use this relation to establish how common surviving tidal dwarfs are?
P. Weilbacher:  Yes, the known (candidates of) TDGs have a more or less constant metallicity of the value cited before, and do not follow the luminosity-metallicity relation. This is used to discriminate TDGs from possible pre-existing dwarfs in interacting systems, and should in principle allow to see, if a dwarf galaxy has tidal origin.

E. Telles:  What is the fate of these condensations formed in these tails predicted by the models? Will they fall back into the system? Also a comment. It is unlikely that this is a major mechanism for dwarf galaxy formation because dwarf galaxies are metal poor and TDGs are not. And we (Telles & Terlevich 1995) find no evidence for giant companions around star forming dwarfs such as HII galaxies.
P. Weilbacher:  In the general models of Barnes & Hernquist (1992) and Elmegreen et al. 1993 the models stop shortly after having developed the condensations. But in the modelling of NGC 7252 (Hibbard & Mihos 1995) it is noted that the outer half of the tails can escape or reach orbits of several Gyrs around the central merger.
About the comment: We do not expect that the major number of dwarf galaxies is formed as TDGs. But your sample and other samples are preselected to include only galaxies that show the faint emission line \[OIII\]4363. It is therefore preselected for metal poor galaxies, and the missing TDGs might be a selection effect. We also expect TDGs not to keep up their current SFR for a long time, but instead they could fade by several magnitudes within one Gyr and then they will not be detected in surveys, especially emission line surveys will miss them.