相关论文: Ground-state properties of a Peierls-Hubbard trian…
Motivated by iodo platinum complexes assembled within a quadratic-prism lattice, [Pt(C$_2$H$_8$N$_2$)(C$_{10}$H$_8$N$_2$)I]$_4$(NO$_3$)$_8$, we investigate the ground-state properties of a Peierls-Hubbard four-legged tube. Making a…
New varieties of quasi-one-dimensional halogen (X)-bridged transition-metal (M) complexes, (C_8_H_6_N_4_)[Pt(C_2_H_8_N_2_)X]_2_X(ClO_4_)_3_\cdotH_2_O (X=Br,Cl) and (C_10_H_8_N_2_)[Pt(C_4_H_13_N_3_)Br]_2_Br_4_\cdot2H_2_O, comprising two-leg…
Based on a symmetry argument, we investigate the ground-state properties of newly synthesized metal-halide ladder compounds (C_8_H_6_N_4_)[Pt(C_2_H_8_N_2_)X]_2_(ClO_4_)_4_ 2H_2_O (X=Cl, Br, I). Employing a fully dressed two-band…
The one-dimensional extended Peierls-Hubbard model is studied at several band fillings using the density matrix renormalization group method. Results show that the ground state evolves from a Mott-Peierls insulator with a correlation gap at…
Based on a symmetry argument, we study the ground-state properties of halogen-bridged binuclear metal chain complexes. We systematically derive commensurate density-wave solutions from a relevant two-band Peierls-Hubbard model and…
Recent contrasting observations for halogen (X)-bridged binuclear platinum complexes R_4[Pt_2(P_2O_5H_2)_4X]nH_2O, that is, pressure-induced Peierls and reverse Peierls instabilities, are explained by finite-temperature Hartree-Fock…
In order to clarify the physics of the crossover from a Peierls band insulator to a correlated Mott-Hubbard insulator, we analyze ground-state and spectral properties of the one-dimensional half-filled Holstein-Hubbard model using…
Quantum phase transitions occur at zero temperature, when the ground state of a Hamiltonian undergoes a qualitative change as a function of a control parameter. We consider a particularly interesting system with competing one-, two- and…
We consider the dimer Hubbard model within Dynamical Mean Field Theory to study the interplay and competition between Mott and Peierls physics. We describe the various metal-insulator transition lines of the phase diagram and the break down…
The three-band Hubbard model is a fundamental model for understanding properties of the Copper-Oxygen planes in cuprate superconductors. We use cutting-edge auxiliary-field quantum Monte Carlo (AFQMC) methods to investigate ground state…
Aiming to settle the controversial observations for halogen-bridged binuclear transition-metal (MMX) complexes, finite-temperature Hartree-Fock calculations are performed for a relevant two-band Peierls-Hubbard model. Thermal, as well as…
Using finite-temperature determinantal quantum Monte Carlo simulations, we examine the thermodynamic properties of the extended Hubbard model on the half-filled square lattice in the Slater regime at intermediate coupling. We consider both…
A new two-pole approximation, which allows to describe the transition from an insulating state to a metallic one at increase of bandwidth, and also the observable in some compounds transition from a metalic state to an insulating one with…
We demonstrate the existence of an insulating phase in the three-legged Hubbard ladder at two-thirds filling. In this phase chargons are bound because the physics within a unit cell favors the formation of triplets. The resultant moments…
We investigate the ground-state phase diagram of the one-dimensional "ionic" Hubbard model with an alternating periodic potential at half-filling by numerical diagonalization of finite systems with the Lanczos and density matrix…
The metal-insulator transition of the quarter-filled Hubbard model on triangular lattice is studied at the mean field level. We find a quasi-one dimensional metallic state with a collinear magnetic order competes closely with an insulating…
We re-examine the Peierls insulator to Mott insulator transition scenario in the one-dimensional Holstein-Hubbard model where, at half-filling, electron-phonon and electron-electron interactions compete for establishing charge- and…
In this work, the ground-state properties of the platinum isotopic chain, 160-238Pt, are studied within the covariant density functional theory. The calculations are carried out for a large number of even-even Pt isotopes by using the…
Half-Heusler compounds are known for their various compositions and multifunctional properties including topological phases. In this study, we investigate the topological classification of this class of materials based on the ordering of…
Interaction among harmonic oscillators described by a trilinear Hamiltonian $\hbar \xi (a^{\dagger} b c + a b^{\dagger} c^{\dagger}$) is one of the most fundamental models in quantum optics. By employing the anharmonicity of the Coublomb…