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Physical review. B, Condensed matter

Three-site interactions and superconductivity of itinerant spins: A high-temperature expansion

C. Bastide, Claudine Lacroix

Published Mar 1, 1991• 1 citation
Publisher

Abstract

We consider hard-core fermions on a single-band lattice additionally with nearest-neighbor two-site and three-site two-body interactions. We derive exact high-temperature expansions of the superconducting susceptibilities and correlation functions for different pair symmetries. These results can serve as a useful test of approximate theories. As an example, a mean-field treatment of the nearest-neighbor interactions is found to underestimate the susceptibility enhancement. In addition, the three-site interaction appears in the exact expansion to be as important as the two-site interaction, even in the case of nearly localized spins.

DOI
10.1103/physrevb.43.6232

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We consider hard-core fermions on a single-band lattice additionally with nearest-neighbor two-site and three-site two-body interactions. We derive exact high-temperature expansions of the superconducting susceptibilities and correlation functions for different pair symmetries. These results can serve as a useful test of approximate theories. As an example, a mean-field treatment of the nearest-neighbor interactions is found to underestimate the susceptibility enhancement. In addition, the three-site interaction appears in the exact expansion to be as important as the two-site interaction, even in the case of nearly localized spins.
The method of developing exact power-series expansions for the partition function ZN and related thermodynamic functions for the Ising model valid below the critical point is generalized to include exchange interactions between first-, second-, and third-neighbor pairs. Expansions of the spontaneous magnetization M0(T) and zero field susceptibility χ0(T) are derived through to sixth order of perturbation for the s.q. lattice, and through to fifth order of perturbation for the Δ′r, b.c.c., s.c., and f.c.c. lattices, when interactions J1SizSjz and J2SkzSlz are present between first- and second-neighbor spins, respectively (second-neighbor model). These expansions have also been obtained for the case where interactions of equal magnitude (J1 = J2 = J3) are present between first-, second-, and third-neighbor pairs (third-equivalent-neighbor model); here expansions through to fifth order of perturbation are obtained for the s.q., Δ′r, b.c.c., and s.c. lattices and through to fourth order for the f.c.c. lattice. The Padé approximant·procedure is employed to discuss the effects of an extended but finite range of interaction on the behavior of M0(T) and χ0(T) for T→Tc− as characterized by the critical exponents β and γ′, respectively. For the second-equivalent-neighbor model lattices, it is found that 0.122 ≤ β ≤ 0.134 in two dimensions, and that 0.308 ≤ β ≤ 0.328 in three dimensions; from which it is concluded that β remains unchanged from its value in the nearest-neighbor model. The corresponding limits for γ′ in three dimensions are 1.18 ≤ γ′ ≤ 1.28; from this and the results for the b.c.c. lattice in particular, it is concluded that γ′ is probably 54 and hence the transition in χ0 is symmetrical about Tc (γ′ = γ). A repetition of this analysis for the third-equivalent-neighbor model three-dimensional lattices shows a marked shift in the estimated range of β and γ′; the results are 0.345 ≤ β ≤ 0.365, and 1.01 ≤ γ′ ≤ 1.14. In each of the above cases, the corresponding high-temperature (T > Tc) expansions of χ0(T) obtained previously have been analyzed to yield estimates of the critical exponent γ. The over-all results and in particular the estimates of γ for the s.q. and b.c.c. lattices suggest that this index is unaffected by extending the range of interaction, and that if γ is a rational fraction then it is the same fraction for the n.n. model and second- and third-equivalent neighbor models. Finally the high-temperature expansions of ZN in zero field, and of χ0(T) for the second-neighbor model are used to examine the dependence of the critical temperature Tc, the critical energy (E∞ − Ec)/kTc, and the critical entropy (S∞ − Sc)/k on the relative strengths of J1 and J2 for values of J2/J1 in the range 0 to 1. It is found that the variation of the critical point is well represented by Tc(α)=Tc(0)[1+m1α],where α = J2/J1 and lies in the range 0 ≤ α ≤ 1; and Tc(0) is the critical temperature of the nearest-neighbor model. The values of m1 are 0.61, 2.47, 0.84, 1.45, and 1.35 for the f.c.c., s.c., b.c.c., s.q., and Δ′r lattices, respectively. All these calculations are compared with the corresponding results for the Heisenberg model.
High-temperature series expansions are used to examine the dependence of critical-point exponents upon lattice anisotropy (different interaction strengths in different directions in the lattice). The two-spin correlation function ${C}_{2}(\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}})$ is calculated to tenth order in (1kBT\frac{1}{{k}_{B}T}kB​T1​) for the Ising Hamiltonian ${\mathcal{H}}_{l \mathrm{anis}}=\ensuremath{-}{J}_{\mathrm{xy}}\ensuremath{\Sigma}\stackrel{\mathrm{xy}}{〈\mathrm{ij}〉}{S}_{i}^{z}{S}_{j}^{z}\ensuremath{-}{J}_{z}\ensuremath{\Sigma}\stackrel{z}{〈\mathrm{ij}〉}{S}_{i}^{z}{S}_{j}^{z}$ for a wide range of anisotropy parameters $R\ensuremath{\equiv}\frac{{J}_{z}}{{J}_{\mathrm{xy}}}$ and for both the sc and fcc lattices; here the first summation is over all pairs of nearest-neighbor sites whose relative displacement vector ${\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}}}_{\mathrm{ij}}$ has no zzz component, while the second summation is over all other pairs of nearest-neighbor sites. Hence for R=0R=0R=0, both the sc and fcc lattices reduce to the two-dimensional square lattice, while in the limit $R\ensuremath{\rightarrow}\ensuremath{\infty}$, the sc becomes a one-dimensional linear chain and the fcc becomes two noninteracting three-dimensional bcc lattices. The series for ${C}_{2}(\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}})$ are then used to obtain series of corresponding lengths for the specific heat, susceptibility, and second moment. Analysis of these series yields results consistent with the universality hypothesis of critical-point exponents. Specifically, it is found that when lattice anisotrophy is introduced, the critical-point exponents studied (the susceptibility exponent $\ensuremath{\gamma}$ and the correlation length exponent $\ensuremath{\nu}$) do not appear to change from their values for an isotropic lattice. The problem of next-nearest-neighbor interactions is treated using similar methods in Paper II of this series (and briefly discussed in this paper).
Our previous mean-field study concerning superconducting pairings in the extended Hubbard model with on-site repulsive and intersite attractive interaction and arbitrary electron density is extended to include the effects of nearest-neighbor exchange (JJJ) and correlated hopping (KKK) interaction. Detailed numerical analysis of sss-, ppp-, and ddd-wave pairing solutions is performed for the two-dimensional square lattice with nearest- (ttt) and next-nearest- (t2{t}_{2}t2​) neighbor hopping, and the resulting mutual stability phase diagrams are given as a function of band filling and the interaction parameters. Antiferromagnetic exchange can enhance both the ddd-wave and the extended sss-wave pairing. If it prevails over the repulsive intersite density-density interaction, such a term can be a leading mechanism for superconductivity. However, its effects strongly depend on the band filling and the t2t\frac{{t}_{2}}{t}tt2​​ ratio, giving in particular for t2=0{t}_{2}=0t2​=0 sss-wave (ddd-wave) pairing as most favorable in the low (high) density limit, but increasing t2{t}_{2}t2​ can even reverse this tendency. The correlated hopping term which breaks the electron-hole symmetry affects sss-wave pairing mostly. A condensation transition (phase separation), possible in the presence of the attractive density-density interaction, is also analyzed within the random-phase approximation, and stability conditions of such an electron droplet phase with respect to other types of ordering are determined as a function of the band filling for the two-dimensional square lattice.
We present the high-temperature series for a nearest-neighbor model with O(2) symmetry on a simple cubic lattice with the most general single-site potential. In particular, the magnetic susceptibility and the second-moment correlation length are computed to 22nd order. The series specialized to some particular improved Hamiltonians have been already analyzed in the paper M. Campostrini, M. Hasenbusch, A. Pelissetto, and E. Vicari, Phys. Rev. B 74, 144506 (2006) [cond-mat/0605083], to determine the critical exponents and other universal quantities of the three-dimensional XY universality class.
We study a Hubbard Hamiltonian, including a quite general nearest-neighbor interaction, parametrized by repulsion V, exchange interactions ${J}_{z}{,J}_{\ensuremath{\perp}},$ bond-charge interaction X, and hopping of pairs W. The case of correlated hopping, in which the hopping between nearest neighbors depends upon the occupation of the two sites involved, is also described by the model for sufficiently weak interactions. We study the model in one dimension with usual continuum-limit field theory techniques, and determine the phase diagram. For arbitrary filling, we find a very simple necessary condition for the existence of dominant triplet superconducting correlations at large distance in the spin SU(2) symmetric case: 4V+J<0.4V+J<0.4V+J<0. In the correlated-hopping model, the three-body interaction should be negative for positive V. We also compare the predictions of this weak-coupling treatment with numerical exact results for the correlated-hopping model obtained by diagonalizing small chains and using a Berry phase to determine the opening of the spin gap.
Generalizing the recent work of Collins, the wave-vector-dependent susceptibility and the static correlation function for a randomly diluted Heisenberg paramagnet on a Bravais lattice with quenched-site, or nearest-neighbor exchange-bond, dilution is studied by high-temperature series-expansion techniques. The first five coefficients for the spin correlation function $S(\stackrel{\ensuremath{\rightarrow}}{\mathrm{k}})$ and susceptibility $\ensuremath{\chi}(\stackrel{\ensuremath{\rightarrow}}{\mathrm{k}})$ are calculated for arbitrary $\stackrel{\ensuremath{\rightarrow}}{\mathrm{k}}$, the sign of the exchange and the spin magnitude and the magnetic site ccc and bond ppp concentrations. Numerical results for these functions are presented for various spins and for $\stackrel{\ensuremath{\rightarrow}}{\mathrm{k}}$ along the symmetry directions (1,1,1) and (1,0,0). Because of the generality of the present series, their length is rather limited, and as such they are not suitable for a careful analysis of the critical region. Nonetheless, to get a qualitative feel for the accuracy of the present results near the transition region, we have used Pad\'e approximants for determining the correlation length $\ensuremath{\xi}(T)$ as a function of the reduced temperature $\ensuremath{\epsilon}=\frac{[T\ensuremath{-}{T}_{C(N)}(\mathrm{random})]}{{T}_{C(N)}(\mathrm{random})}$. In this manner, we estimate that the numerical accuracy of our results should be reasonable as long as the system is moderately above the transition temperature, e.g., $\ensuremath{\epsilon}\ensuremath{\gtrsim}0.5$.