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arXiv:0803.2420 · Europhysics Letters (EPL)

Dimensional and temperature dependence of metal-insulator transition in correlated and disordered systems

Tribikram Gupta, Sanjay Gupta

Published Oct 1, 2009• 4 citations
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Abstract

We study the dimensional dependence of the interplay between correlation and disorder in two dimensions at half-filling using the 2D t- t ' disordered Hubbard model with deterministic disorder both at zero and finite temperatures. Inclusion of t ' without disorder leads to a metallic phase at half-filling below a certain critical value of U . Above this critical value U c correlation favours an antiferromagnetic phase. Since disorder leads to double occupancy over the lower-energy site, the competition between Hubbard U and disorder leads to the emergence of a metallic phase, which can be quantified by the calculation of Kubo conductivity, gap at half-filling, density of states, spin order parameter, inverse participation ratio (IPR) and bandwidth. We have studied the effect of disorder on the system in a very novel way through a deterministic disorder which follows a Fibonacci sequence. The behaviour of different quantities shows interesting features on going from a two- to quasi–one-dimensional system.

DOI
10.1209/0295-5075/88/17006

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We study the dimensional dependence of the interplay between correlation and disorder in two dimensions at half-filling using the 2D t- t ' disordered Hubbard model with deterministic disorder both at zero and finite temperatures. Inclusion of t ' without disorder leads to a metallic phase at half-filling below a certain critical value of U . Above this critical value U c correlation favours an antiferromagnetic phase. Since disorder leads to double occupancy over the lower-energy site, the competition between Hubbard U and disorder leads to the emergence of a metallic phase, which can be quantified by the calculation of Kubo conductivity, gap at half-filling, density of states, spin order parameter, inverse participation ratio (IPR) and bandwidth. We have studied the effect of disorder on the system in a very novel way through a deterministic disorder which follows a Fibonacci sequence. The behaviour of different quantities shows interesting features on going from a two- to quasi–one-dimensional system.
We study the dimensional dependence of the interplay between correlation and disorder in two dimension at half filling using 2D t−t′t-t't−t′ disordered Hubbard model with deterministic disorder both at zero and finite temperatures. Inclusion of t′t't′ without disorder leads to a metallic phase at half filling below a certain critical value of UUU. Above this critical value UcU_cUc​ correlation favours antiferromagnetic phase. Since disorder leads to double occupancy over the lower energy site, the competition between Hubbard UUU and disorder leads to the emergence of a metallic phase, which can be quantified by the calculation of Kubo conductivity, gap at half-filling, density of states, spin order parameter, Inverse participation ratio (IPR) and bandwidth. We have studied the effect of disorder on the system in a very novel way through a deterministic disorder which follows a Fibonacci sequence. Behaviour of different parameters show interesting features on going from a two to quasi one dimensional system.
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.
Abstract We study metal-insulator phase diagram in the half-filled disordered Hubbard model at finite temperature. We calculate the averaged local density of states at the Fermi level and the site occupation as a function of the on-site energy at finite temperature by using typical medium theory with an impurity solver of equation of motion method. Although the metallicity in the correlated metallic region changes with temperature change, the phase diagram is almost temperature independent. We find fairly good agreement between our site occupation and those obtained by the typical medium method with other impurity solver.
Antiferromagnetic and metal to insulator transitions in the ground state of two-dimensional half-filled and nearly half-filled Hubbard models with the nearest neighbor and the second nearest neighbor transfers (- t and t ′ , respectively) are studied by using the Green's function approach with the self-energy up to the second order in the coupling constant U . For a choice of the parameter value t ′ / t =0.2 the half-filled model undergoes the first order phase transition between paramagnetic metallic (PM) phase and antiferromagnetic insulator (AFI) phase at U / t =4.0 while the first order transition between PM and antiferromagnetic metallic (AFM) phases takes place for nearly half-filled band. The one-electron spectral density is calculated for the PM, AFM, and AFI phases near the phase boundaries. In the PM phase the quasi-particle dispersion indicates the band narrowing from the Hartree-Fock results and the flat band behavior as was indicated by previous stadies and was observed in high- T c cuprates. The quasi-particle dispersion in the AFM phase is seen to be close to the Hartree-Fock results.
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.
The Quantum Monte-Carlo simulations of the two-dimensional Hubbard model are presented for the half filling. The method based on the direct-space proposed by Suzuki and al., and Hirsch and al. was used. The states generated by this method are basis states in occupation number representation built with Wannier states localised on each site of the square array. The configurations of fermions can be observed on the real 2D array. An antiferromagnetic factor is defined and calculated for each temperature. The curves of energy, specific heat, conducivity and antiferromagnetic factor are presented for different values of the repulsive coulombian on site interaction U. There is a metal-insulator transition at low temperature for small values of U. This transition corresponds with a paramagnetic-ferromagnetic first order transition. Indeed, for these interaction values, the energy curves show a gap which is a characteristic of a first order transition. An hysteresis phenomenon appears on the conductivity curves. There is a behaviour change for U/t=3.5. For the values U>3.5 there is ferromagnetic-paramagnetic change without observable effect on the energy and the specific heat. The metal-insulator transition does not exist any more, the conductivity stays very small. Isotherms of the physical quantities versus U/t show a transition which seems to be the metal-insulator Mott transition. These results allow to draw a phase diagram with two first order transition lines.