We study the transitions from band insulator to metal to Mott insulator in the ionic Hubbard model on a two dimensional square lattice using determinant Quantum Monte Carlo. Evaluation of the temperature dependence of the conductivity demonstrates that the metallic region extends for a finite range of interaction values. The Mott phase at strong coupling is accompanied by antiferromagnetic (AF) order. Inclusion of these intersite correlations changes the phase diagram qualitatively compared to dynamical mean field theory.
Describing correlated electron systems near phase transitions has been a major challenge in computational condensed-matter physics. In this paper, we apply highly accurate fixed node quantum Monte Carlo techniques, which directly work with many body
wave functions and simulate electron correlations, to investigate the metal to insulator transition of a correlated hydrogen lattice. By calculating spin and charge properties, and analyzing the low energy Hilbert space, we identify the transition point and identify order parameters that can be used to detect the transition. Our results provide a benchmark for density functional theories seeking to treat correlated electron systems.
We investigate the quantum phase transitions of a disordered nanowire from superconducting to metallic behavior by employing extensive Monte Carlo simulations. To this end, we map the quantum action onto a (1+1)-dimensional classical XY model with lo
ng-range interactions in imaginary time. We then analyze the finite-size scaling behavior of the order parameter susceptibility, the correlation time, the superfluid density, and the compressibility. We find strong numerical evidence for the critical behavior to be of infinite-randomness type and to belong to the random transverse-field Ising universality class, as predicted by a recent strong disorder renormalization group calculation.
We study the effects of anharmonicity on the physics of the Holstein model, which describes the coupling of itinerant fermions and localized quantum phonons, by introducing a quartic term in the phonon potential energy. We find that the presence of t
his anharmonic term reduces the extent of the charge density wave phase (CDW) at half-filling as well as the transition temperature to this phase. Doping away from half-filling, we observe a first order phase transition between the CDW and a homogeneous phase which is also present in the harmonic model. In addition, we study the evolution of the superconducting susceptibility in the doped region and show that anharmonicity can enhance the superconducting response.
We present the first approximation free diagrammatic Monte Carlo study of a lattice polaron interacting with an acoustic phonon branch through the deformation potential. Weak and strong coupling regimes are separated by a self-trapping region where q
uantum resonance between various possible lattice deformations is seen in the ground state properties, spectral function, and optical conductivity. The unique feature of such polaron is the interplay between long- and short wavelength acoustic vibrations creating a composite phonon cloud and leading to persistent self-trapping due to the existence of multiple quasi-stable states. This results in a spectral response whose structure is much more complex than in any of the previously considered polaron models.
The recently developed density matrix quantum Monte Carlo (DMQMC) algorithm stochastically samples the N -body thermal density matrix and hence provides access to exact properties of many-particle quantum systems at arbitrary temperatures. We demonst
rate that moving to the interaction picture provides substantial benefits when applying DMQMC to interacting fermions. In this first study, we focus on a system of much recent interest: the uniform electron gas in the warm dense regime. The basis set incompleteness error at finite temperature is investigated and extrapolated via a simple Monte Carlo sampling procedure. Finally, we provide benchmark calculations for a four-electron system, comparing our results to previous work where possible.
N. Paris
,K. Bouadim
,F. Hebert
.
(2006)
.
"Quantum Monte Carlo Study of an Interaction-Driven Band Insulator to Metal Transition"
.
Richard T. Scalettar
هل ترغب بارسال اشعارات عن اخر التحديثات في شمرا-اكاديميا