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arXiv:cond-mat/0507701

Resonant Pair Exchange and Percolation in the Disordered Hubbard Model

Dariush Heidarian, Mustansir Barma, Nandini Trivedi

Published Jul 29, 2005• 0 citations
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Abstract

We show that the effect of disorder on a Mott-Hubbard insulator of interacting electrons produces a quantum phase transition from an antiferromagnetic to a paramagnetic phase governed by a percolation of the singly occupied weakly disordered sites. Near the transition, we propose that a new type of defect, formed by the resonant exchange between a spin singlet and a doubly occupied site with an attractive disorder potential, plays an important role. These resonant pair exchange defects reduce the staggered magnetization but enhance the coupling of the two spins and produce characteristic signatures in the temperature dependent specific heat and the non-Curie spin susceptibility, at temperatures on the order the hopping t, higher than the typical exchange scale J.

DOI
10.48550/arxiv.cond-mat/0507701

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We show that the effect of disorder on a Mott-Hubbard insulator of interacting electrons produces a quantum phase transition from an antiferromagnetic to a paramagnetic phase governed by a percolation of the singly occupied weakly disordered sites. Near the transition, we propose that a new type of defect, formed by the resonant exchange between a spin singlet and a doubly occupied site with an attractive disorder potential, plays an important role. These resonant pair exchange defects reduce the staggered magnetization but enhance the coupling of the two spins and produce characteristic signatures in the temperature dependent specific heat and the non-Curie spin susceptibility, at temperatures on the order the hopping t, higher than the typical exchange scale J.
The Mott-Hubbard transition is studied in the context of the two-dimensional Hubbard model. Analytical calculations show the existence of a critical value Uc of the potential strength which separates a paramagnetic metallic phase from a paramagnetic insulating phase. Calculations of the density of states and double occupancy show that the ground state in the insulating phase contains always a small fraction of empty and doubly occupied sites. The structure of the ground state is studied by considering the probability amplitude of intersite hopping. The results indicate that the ground state of the Mott insulator is characterized by a local antiferromagnetic order; the electrons keep some mobility, but this mobility must be compatible with the local ordering. The vanishing of some intersite probability amplitudes at U=Uc puts a constrain on the electron mobility. It is suggested that such quantities might be taken as the quantities which control the order in the insulating phase.
The influence of local disorder on the thermodynamics of interacting electrons is studied within the infinite-dimensional disordered Hubbard model.Using a finite-temperature quantum Monte Carlo method, the averaged local moment and staggered susceptibility are calculated and the magnetic phase diagram at half-filling is constructed.From the averaged compressibility in the paramagnetic and antiferromagnetic phase we determine the metalinsulator transitions of the system.A rich transition scenario is revealed.Quite unexpectedly the disorder is found to stabilize the magnetic order in the strong-coupling limit.Randomness can significantly influence the low-temperature behaviour of interacting systems.In particular, it may lead to new phases which have no analogue in non-random systems [l].In the case of electrons, the simplest lattice model including both interactions and random potentials is the disordered Hubbard model.It is now known that even in the .mean-field.limit d + CQ [2,3] the Hubbard interaction remains dynamical [4] and leads to a highly non-trivial single-site problem with infinitely many coupled quantum degrees of freedom [5].This problem is, in fact, equivalent to an Anderson impurity model complemented by a self-consistency condition [6] and is thus amenable to numerical investigations [7] within a finite-temperature quantum Monte Carlo approach [81.In the absence of disorder this technique was already used by several groups to investigate the magnetic phase diagram [7,9], the Mott-Hubbard transition [lo, 1 1 1 and lately also superconductivity in a two-band version [12] of the Hubbard model in d = C Q ; thereby important new insight was gained.In this letter we wish to concentrate on the combined effect of disorder and interaction.We will study the effect of diagonal disorder on the low-temperature properties of the Hubbard model in d = CQ , in particular the competition between correlation-induced
We study the ground-state phase diagram of the Anderson-Hubbard model with correlated hopping at half-filling in one dimension. The Hamiltonian has a local Coulomb repulsion UUU and a disorder potential with local energies randomly distributed in the interval $(\ensuremath{-}W,+W)$ with equal probability, acting on the singly occupied sites. The hopping process which modifies the number of doubly occupied sites is forbidden. The hopping between nearest-neighbor singly occupied and empty sites or between singly occupied and doubly occupied sites has the same amplitude ttt. We identify three different phases as functions of the disorder amplitude WWW and Coulomb interaction strength U>0U>0U>0. When U<4tU<4tU<4t the system shows a metallic phase: (i) only when no disorder is present W=0W=0W=0 or an Anderson-localized phase, (ii) when disorder is introduced $W\ensuremath{\ne}0$. When U>4tU>4tU>4t the Anderson-localized phase survives as long as disorder effects dominate on the interaction effects, otherwise a Mott-insulator phase (iii) arises. Phases (i) and (ii) are characterized by a finite density of doublons and a vanishing charge gap among the ground state and the excited states. Phase (iii) is characterized by the vanishing density of doublons and a finite gap for the charge excitations.
We present a detailed, quantitative study of the competition between interaction- and disorder-induced effects in electronic systems. For this the Hubbard model with diagonal disorder (Anderson-Hubbard model) is investigated analytically and numerically in the limit of infinite spatial dimensions, i.e., within a dynamical mean-field theory, at half-filling. Numerical results are obtained for three different disorder distributions by employing quantum Monte Carlo techniques, which provide an explicit finite-temperature solution of the model in this limit. The magnetic phase diagram is constructed from the zeros of the inverse averaged staggered susceptibility. We find that at low enough temperatures and sufficiently strong interaction there always exists a phase with antiferromagnetic long-range order. A strong coupling anomaly, i.e., an increase of the N\'eel temperature for increasing disorder, is discovered. An explicit explanation is given, which shows that in the case of diagonal disorder this is a generic effect. The existence of metal-insulator transitions is studied by evaluating the averaged compressibility both in the paramagnetic and antiferromagnetic phases. A rich transition scenario, involving metal-insulator and magnetic transitions, is found and its dependence on the choice of the disorder distribution is discussed.
We study the interplay between electron correlation and disorder in the two-dimensional Hubbard model at half filling by means of a variational wave function that can interpolate between Anderson and Mott insulators. We give a detailed description of our improved variational state and explain how the physics of the Anderson-Mott transition can be inferred from equal-time correlations functions, which can be easily computed within the variational Monte Carlo scheme. The ground-state phase diagram is worked out in both the paramagnetic and the magnetic sector. Whereas in the former a direct second-order Anderson-Mott transition is obtained, when magnetism is allowed variationally, we find evidence for the formation of local magnetic moments that order before the Mott transition. Although the localization length increases before the Mott transition, we have no evidence for the stabilization of a true metallic phase. The effect of a frustrating next-nearest-neighbor hopping ${t}^{\ensuremath{'}}$ is also studied in some detail. In particular, we show that ${t}^{\ensuremath{'}}$ has two primary effects. The first one is the narrowing of the stability region of the magnetic Anderson insulator, also leading to a first-order magnetic transition. The second and most important effect of a frustrating hopping term is the development of a ``glassy'' phase at strong couplings, where many paramagnetic states, with disordered local moments, may be stabilized.
The two-dimensional Hubbard model in the presence of diagonal and off-diagonal disorder is studied at half-filling with a finite-temperature quantum Monte Carlo method. Magnetic correlations as well as the electronic compressibility are calculated to determine the behavior of local magnetic moments, the stability of antiferromagnetic long-range order (AFLRO), and properties of the disordered phase. The existence of random potentials (diagonal or ``site'' disorder) leads to a suppression of local magnetic moments which eventually destroys AFLRO. Randomness in the hopping elements (off-diagonal disorder), on the other hand, does not significantly reduce the density of local magnetic moments. For this type of disorder, at half-filling, there is no ``sign problem'' in the simulations as long as the hopping is restricted between neighbor sites on a bipartite lattice. This allows the study of sufficiently large lattices and low temperatures to perform a finite-size scaling analysis. For off-diagonal disorder, AFLRO is eventually destroyed when the fluctuations of antiferromagnetic exchange couplings exceed a critical value. The disordered phase close to the transition appears to be incompressible, and shows an increase of the uniform susceptibility at low temperatures.