Related papers: Dielectric response of modified Hubbard models wit…
The screened electron-electron interaction in a multi-band electron system is calculated within the random phase approximation and in the tight-binding representation. The obtained dielectric matrix contains, beside the usual site-site…
It is known that within the interacting electron model Hamiltonian for the one-dimensional 1/4-filled band, the singlet ground state is a Wigner crystal only if the nearest neighbor electron-electron repulsion is larger than a critical…
A flexoelectric peridynamic (PD) theory is proposed. Using the PD framework, the formulation introduces, perhaps for the first time, a nanoscale flexoelectric coupling that entails non-uniform strain in centrosymmetric dielectrics. This…
In this work, we study the extended Falicov-Kimball model at half-filling within the Hartree-Fock approach (HFA) (for various crystal lattices) and compare the results obtained with the rigorous ones derived within the dynamical mean field…
The presence of electron correlations in a system with topological order can lead to exotic ground states. Considering single crystals of LaAgSb2 which has a square net crystal structure, one finds multiple charge density wave transitions…
The fate of electric dipoles inside a Fermi sea is an old issue, yet poorly-explored. Sr$_{1-x}$Ca$_x$TiO$_{3}$ hosts a robust but dilute ferroelectricity in a narrow ($0.002<x<0.02$) window of substitution. This insulator becomes metallic…
We have studied the three-band Peierls-Hubbard model describing the Cu-O layers in high-T$_c$ superconductors by using Lanczos diagonalization and assuming infinite mass for the ions. When the system is doped with one hole, and when the…
Intense experimental and theoretical studies have demonstrated that the anisotropic triangular lattice as realized in the kappa-(BEDT-TTF)2X family of organic charge transfer (CT) salts yields a complex phase diagram with magnetic,…
It is of great interest to design and make materials in which ferroelectric polarisation is coupled to other order parameters such as lattice, magnetic and electronic instabilities. Such materials will be invaluable in next-generation data…
Many dipolar topological structures have been experimentally demonstrated in (PbTiO$_3$)$_n$/(SrTiO$_3$)$_n$ superlattices, such as flux-closure, vortice, and skyrmion. In this work, we employ deep potential molecular dynamics (MD) to…
The Peierls instability in one-dimensional electron-phonon systems is known to be qualitatively well described by the Mean-Field theory, however the related self-consistent problem so far has only been able to predict a partial suppression…
Electron transfer with changing occupation in the 4f subshell poses a considerable challenge for quantitative predictions in quantum chemistry. Using the example of cerium oxide, we identify the main deficiencies of common…
The dipole ordering in Sn(Pb)$_2$P$_2$S(Se)$_6$ materials may be tuned by chemical substitution realizing a ferroelectric quantum phase transition and quantum glassy or relaxor type phenomena on different parts of the phase diagram. The…
We show that the introduction of frustration into the spin-1/2 two-dimensional (2D) antiferromagnetic Heisenberg model on a square lattice via a next-nearest neighbor exchange interaction can lead to a Peierls-like transition, from a…
We demonstrate a fabrication scheme for clean suspended structures using chemical-vapor-deposition-grown graphene and a dry transfer method on lift-off-resist-coated substrates to facilitate suspended graphene nanoelectronic devices for…
Gauge fields that appear in models of high-energy and condensed matter physics are dynamical quantum degrees of freedom due to their coupling to matter fields. Since the dynamics of these strongly correlated systems is hard to compute, it…
Finding new physical responses that signal topological quantum phase transitions is of both theoretical and experimental importance. Here, we demonstrate that the piezoelectric response can change discontinuously across a topological…
We study the S=1/2 Heisenberg antiferromagnet on a square lattice with nearest-neighbor and plaquette four-spin exchanges (introduced by A.W. Sandvik, Phys. Rev. Lett. {\bf 98}, 227202 (2007).) This model undergoes a quantum phase…
We thoroughly analyze the divergences of the irreducible vertex functions occurring in the charge channel of the half-filled Hubbard model in close proximity to the Mott metal-insulator transition (MIT). In particular, by systematically…
We theoretically describe the charge ordering (CO) metal-insulator transition based on a quasi-one-dimensional extended Hubbard model, and investigate the finite temperature ($T$) properties across the transition temperature, $T_{\rm CO}$.…