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arXiv:2312.09987 · Physical review. B./Physical review. B

Disorder-induced decoupling of attracting identical fermions: Transfer matrix approach

L. I. Knyazeva, Vladimir I. Yudson

Published Jan 8, 2024• 1 citation
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Abstract

We consider a pair of identical fermions with a short-range attractive interaction on a finite lattice cluster in the presence of strong site disorder. This toy model imitates a low-density regime of the strongly disordered Hubbard model. In contrast to spinful fermions, which can simultaneously occupy a site with minimal energy and thus always form a bound state resistant to disorder, for the identical fermions the probability of pairing on neighboring sites depends on the relation between the interaction and the disorder. The complexity of ``brute-force'' calculations (both analytical and numerical) of this probability grows rapidly with the number of sites even for the simplest cluster geometry in the form of a closed chain. Remarkably, this problem is related to the old mathematical task of computing the volume of a polyhedron, known as NP-hard. However, we have found that the problem in the chain geometry can be exactly solved by the transfer matrix method. Using this approach, we have calculated the pairing probability in the long chain for an arbitrary relation between the interaction and the disorder strengths and completely describe the crossover between the regimes of coupled and separated fermions.

DOI
10.1103/physrevb.109.024202

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We consider a pair of identical fermions with a short-range attractive interaction on a finite lattice cluster in the presence of strong site disorder. This toy model imitates a low-density regime of the strongly disordered Hubbard model. In contrast to spinful fermions, which can simultaneously occupy a site with minimal energy and thus always form a bound state resistant to disorder, for the identical fermions the probability of pairing on neighboring sites depends on the relation between the interaction and the disorder. The complexity of ``brute-force'' calculations (both analytical and numerical) of this probability grows rapidly with the number of sites even for the simplest cluster geometry in the form of a closed chain. Remarkably, this problem is related to the old mathematical task of computing the volume of a polyhedron, known as NP-hard. However, we have found that the problem in the chain geometry can be exactly solved by the transfer matrix method. Using this approach, we have calculated the pairing probability in the long chain for an arbitrary relation between the interaction and the disorder strengths and completely describe the crossover between the regimes of coupled and separated fermions.
A density-functional theory for many-body lattice models is considered in which the single-particle density matrix ${\ensuremath{\gamma}}_{\mathrm{ij}}$ is the basic variable. Eigenvalue equations are derived for solving Levy's constrained search of the interaction energy functional $W[{\ensuremath{\gamma}}_{\mathrm{ij}}].$ $W[{\ensuremath{\gamma}}_{\mathrm{ij}}]$ is expressed as the sum of Hartree-Fock energy ${E}_{\mathrm{HF}}[{\ensuremath{\gamma}}_{\mathrm{ij}}]$ and the correlation energy ${E}_{C}[{\ensuremath{\gamma}}_{\mathrm{ij}}].$ Exact results are obtained for ${E}_{C}({\ensuremath{\gamma}}_{12})$ of the Hubbard model on various periodic lattices, where ${\ensuremath{\gamma}}_{\mathrm{ij}}={\ensuremath{\gamma}}_{12}$ for all nearest neighbors i and j. The functional dependence of ${E}_{C}({\ensuremath{\gamma}}_{12})$ is analyzed by varying the number of sites Na,{N}_{a},Na​, band filling Ne,{N}_{e},Ne​, and lattice structure. The infinite one-dimensional chain and one-, two-, or three-dimensional finite clusters with periodic boundary conditions are considered. The properties of ${E}_{C}({\ensuremath{\gamma}}_{12})$ are discussed in the limits of weak $({\ensuremath{\gamma}}_{12}\ensuremath{\simeq}{\ensuremath{\gamma}}_{12}^{0})$ and strong $({\ensuremath{\gamma}}_{12}\ensuremath{\simeq}{\ensuremath{\gamma}}_{12}^{\ensuremath{\infty}})$ electronic correlations, and in the crossover region $({\ensuremath{\gamma}}_{12}^{\ensuremath{\infty}}<~{\ensuremath{\gamma}}_{12}<~{\ensuremath{\gamma}}_{12}^{0}).$ Using an appropriate scaling we observe that ${\ensuremath{\varepsilon}}_{C}{(g}_{12}{)=E}_{C}{/E}_{\mathrm{HF}}$ has a pseudo-universal behavior as a function of ${g}_{12}=({\ensuremath{\gamma}}_{12}\ensuremath{-}{\ensuremath{\gamma}}_{12}^{\ensuremath{\infty}})/({\ensuremath{\gamma}}_{12}^{0}\ensuremath{-}{\ensuremath{\gamma}}_{12}^{\ensuremath{\infty}}).$ The fact that ${\ensuremath{\varepsilon}}_{C}{(g}_{12})$ depends weakly on Na,{N}_{a},Na​, Ne,{N}_{e},Ne​, and lattice structure suggests that the correlation energy of extended systems could be obtained quite accurately from finite-cluster calculations. Finally, the behaviors of ${E}_{C}({\ensuremath{\gamma}}_{12})$ for repulsive (U>0)(U>0)(U>0) and attractive (U<0)(U<0)(U<0) interactions are contrasted.
The attractive Hubbard model is investigated in the framework of lattice density-functional theory (LDFT). The ground-state energy E=T+WE=T+WE=T+W is regarded as a functional of the single-particle density matrix ${\ensuremath{\gamma}}_{ij}$ with respect to the lattice sites, where $T[\ensuremath{\gamma}]$ represents the kinetic and crystal-field energies and $W[\ensuremath{\gamma}]$ the interaction energy. Aside from the exactly known functional $T[\ensuremath{\gamma}]$, we propose a simple scaling approximation to $W[\ensuremath{\gamma}]$, which is based on exact analytic results for the attractive Hubbard dimer and on a scaling hypothesis within the domain of representability of $\ensuremath{\gamma}$. As applications, we consider one-, two-, and three-dimensional finite and extended bipartite lattices having homogeneous or alternating onsite energy levels. In addition, the Bethe lattice is investigated as a function of coordination number. Results are given for the kinetic, Coulomb, and total energies, as well as for the density distribution ${\ensuremath{\gamma}}_{ii}$, nearest-neighbor bond order ${\ensuremath{\gamma}}_{ij}$, and pairing energy $\ensuremath{\Delta}{E}_{p}$, as a function of the interaction strength ∣U∣/t|U|/t∣U∣/t, onsite potential $\ensuremath{\varepsilon}/t$, and band filling n=Ne/Nan={N}_{e}/{N}_{a}n=Ne​/Na​. Remarkable even-odd and super-even oscillations of $\ensuremath{\Delta}{E}_{p}$ are observed in finite rings as a function of band filling. Comparison with exact Lanczos diagonalizations and density-matrix renormalization-group calculations shows that LDFT yields a very good quantitative description of the properties of the model in the complete parameter range, thus providing a significant improvement over the mean-field approaches. Goals and limitations of the method are discussed.
The properties of a two-dimensional low density (n<<1) electron system with strong onsite Hubbard attraction U>W (W is the bandwidth) in the presence of a strong random potential V uniformly distributed in the range from -V to +V are considered. Electronic hoppings only at neighboring sites on the square lattice are taken into account, thus W=8t. The calculations were carried out for a lattice of 24x24 sites with periodic boundary conditions. In the framework of the Bogoliubov - de Gennes approach we observed an appearance of inhomogeneous state of spatially separated Fermi-Bose mixture of Cooper pairs and unpaired electrons with the formation of bosonic droplets of different size in the unpaired fermionic matrix. We observed an increase in the droplet size (from individual bielectronic pairs to larger droplets and finally to the percolation cluster) when we increase the electron density at fixed values of the Hubbard attraction and random potential.
Abstract. We introduce a Hubbard model on a particular class of geometries, and consider the effect of doping the highly spin-degenerate Mott-insulating state with a microscopic number of holes in the extreme strong-coupling limit. The geometry is quite general, with pairs of atomic sites at each superlattice vertex, and a highly frustrated inter-atomic connectivity: the one dimensional realization is a chain of edge-sharing tetrahedra. The sole model parameter is the ratio of intrapair to inter-pair hopping matrix elements. If the intra-pair hopping is negligible then introducing a microscopic number of holes results in a ferromagnetic Nagaoka groundstate. Conversely, if the intra-pair hopping is comparable with the inter-pair hopping then the groundstate is low spin with short-ranged spin correlations. We exactly solve the correlated motion of a pair of holes in such a state and find that, in 1-d and 2-d, they form a bound pair on a length scale that increases with diminishing binding energy. This result is pertinent to the long-standing problem of hole-motion in the CuO2 planes of the high-temperature superconductors: we have rigorously shown that, on our frustrated geometry, the holes pair up and a short-ranged low-spin state is generated by hole motion alone. Submitted to: J. Phys. A: Math. Gen. 1.
This work analyzes the behavior of coupled disordered one-dimensional systems as modelled by identical fermionic Hubbard chains with the on-site potential disorder and coupling emerging through the interchain hopping ${t}^{\ensuremath{'}}$. The study is motivated by the experiment on fermionic cold atoms on a disordered lattice, where a decay rate of the quenched density wave was measured. We present a derivation of the decay rate $\mathrm{\ensuremath{\Gamma}}$ within perturbation theory and show that, even at large disorder along the chains, the interaction leads to finite $\mathrm{\ensuremath{\Gamma}}>0$, the mechanism being the interaction-induced coupling of in-chain localized and interchain extended single-fermion states. Explicit expressions for $\mathrm{\ensuremath{\Gamma}}$ are presented for a weak interaction $U<t,{t}^{\ensuremath{'}}$, but extended also to the regime $t>U>{t}^{\ensuremath{'}}$. It is shown that, in both regimes, $\mathrm{\ensuremath{\Gamma}}$ increases with the interchain hopping ${t}^{\ensuremath{'}}$, as well as decreases with increasing disorder.
The ground-state properties of the Hubbard model with attractive local pairing interactions are investigated in the framework of lattice density-functional theory. A remarkable correlation is revealed between the interaction-energy functional $W[\mathbit{\ensuremath{\eta}}]$ corresponding to the Bloch-state occupation-number distribution ${\ensuremath{\eta}}_{\ensuremath{\kappa}\ensuremath{\sigma}}$ and the entropy $S[\mathbit{\ensuremath{\eta}}]$ of a system of noninteracting fermions having the same ${\ensuremath{\eta}}_{\mathbit{k}\ensuremath{\sigma}}$. The relation between $W[\mathbit{\ensuremath{\eta}}]$ and $S[\mathbit{\ensuremath{\eta}}]$ is shown to be approximately linear for a wide range of ground-state representable occupation-number distributions ${\ensuremath{\eta}}_{\mathbit{k}\ensuremath{\sigma}}$. Taking advantage of this statistical analogy, a simple explicit ansatz for $W[\mathbit{\ensuremath{\eta}}]$ of the attractive Hubbard model is proposed, which can be applied to arbitrary periodic systems. The accuracy of this approximation is demonstrated by calculating the main ground-state properties of the model on several 1D and 2D bipartite and nonbipartite lattices and by comparing the results with exact diagonalizations.