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Communications in Mathematical Physics

Mott transition and sign problem for a model of lattice fermions

Claudio Albanese, Nilanjana Datta

Published Feb 1, 1995• 2 citations
Publisher
DOI
10.1007/bf02101536

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The sign problem limits determinant quantum Monte Carlo studies of strongly correlated fermion systems. In the spin-channel Hubbard-Stratonovich decoupling, spin correlations are exactly related to auxiliary-field correlations. This relation implies that an antiferromagnetic transition reorganizes auxiliary-field configurations and thereby changes the statistical structure of the resulting fermion matrices. We use the adjacent gap ratio of low-lying singular values of the space-time fermion matrix to probe interaction-driven transitions in two half-filled honeycomb-lattice Hubbard models. In the sign-free honeycomb Hubbard model, the statistic tracks the established transition from a Dirac semimetal to an antiferromagnetic Mott insulator. In the complex-weight Haldane-Hubbard model, the transition-sensitive feature remains visible in the phase-quenched reference ensemble and occurs near previous estimates of the transition. Moreover, phase reweighting only weakly modifies the gap ratio over the regimes investigated, despite the rapid suppression of the average phase. These results establish singular-value statistics as a sign-problem-resilient probe of interaction-driven transitions in determinant quantum Monte Carlo.
We present a solution to the sign problem in a class of particle-hole symmetric Hamiltonian lattice fermion models on bipartite lattices using the idea of fermion bags. The solution remains valid when the particle-hole symmetry is broken through a staggered chemical potential term. This solution allows, for the first time, simulations of some massless four-fermion models with minimal fermion doubling and with an odd number of fermion flavors using ultra-local actions. One can thus study a variety of quantum phase transitions that have remained unexplored so far due to sign problems.
We propose a projection approach to perform quantum Monte Carlo (QMC) simulation on the infinite-UUU Hubbard model at some integer fillings where either it is sign problem free or surprisingly has an algebraic sign structure---a power law dependence of average sign on system size. We demonstrate our scheme on the infinite-USU(2N)U\phantom{\rule{4pt}{0ex}}SU(2N)USU(2N) fermionic Hubbard model on both a square and honeycomb lattice at half filling, where it is sign problem free, and suggest possible correlated ground states. The method can be generalized to study certain extended Hubbard models applying to cluster Mott insulators or two-dimensional Moir\'e systems; among one of them at certain non-half-integer filling, the sign has an algebraic behavior such that it can be numerically solved within a polynomial time. Further, our projection scheme can also be generalized to implement the Gutzwiller projection to spin basis such that SU(2N)SU(2N)SU(2N) quantum spin models and Kondo lattice models may be studied in the framework of fermionic QMC simulations.