Related papers: Correlation-driven charge order in a frustrated tw…
We have carried out an ab-initio study of $\alpha$-Sn (111), with the aim of predicting and understanding its structure, reconstructions, and electronic states. We consider a variety of structural possibilities, and optimize them by moving…
To understand the microscopic mechanism of the charge order observed in the parent compound of the infinite-layer nickelate superconductors, we consider a minimal three-legged model consisting of a two-legged Hubbard ladder for the Ni…
Charge ordering phenomenon in $\theta$-(BEDT-TTF)$_2$X is studied by using 1/4-filled extended Hubbard model on an anisotropic triangular lattice through mean-field approximation. It is found that a metallic charge ordered state with…
Two-dimensional metallic altermagnets are rare, and no correlated 2D material has been established to host large nonrelativistic spin splitting. Here we show that spontaneous orbital order, driven by electronic correlations and Fermi…
Effects of electron correlation in FeSi are studied in terms of the two-band Hubbard model with the density of states obtained from the band calculation. Using the self-consistent second-order perturbation theory combined with the local…
Ferromagnetism and superconductivity are generally considered to be antagonistic phenomena in condensed matter physics. Here, we theoretically study the interplay between the ferromagnetic and superconducting orders in a recent discovered…
We study the half filled extended Hubbard model on a two-dimensional square lattice using cluster dynamical mean field theory on clusters of size 8-20. We show that the model exhibits metallic, Mott insulating, and charge ordered phases,…
Atomic layers deposited on semiconductor substrates introduce a platform for the realization of the extended electronic Hubbard model, where the consideration of electronic repulsion beyond the onsite term is paramount. Recently, the onset…
We study correlation effects on the transport through a quantum dot superlattice using a two-dimensional Hubbard model connected to two noninteracting leads. To calculate the zero-temperature conductance away from half-filling, we have used…
The adsorbed atoms exhibit tendency to occupy a triangular lattice formed by periodic potential of the underlying crystal surface. Such a lattice is formed by, e.g., a single layer of graphane or the graphite surfaces as well as (111)…
We demonstrate that summation of connected diagrams to high order starting from a BCS hamiltonian is a viable generic unbiased approach for strongly correlated fermions in superconducting or superfluid phases. For the 3D attractive Hubbard…
There have been extensive recent developments on kagome metals, such as T$_m$X$_n$ (T= Fe, Co and X= Sn, Ge) and $A$V$_3$Sb$_5$ ($A=$ Cs, K, Rb). An emerging issue is the nature of correlated phases when topologically \textit{non-trivial}…
Motivated by the recent discovery of superconductivity in the iron-based ladder compound BaFe$_2$S$_3$ under high pressure, we derive low-energy effective Hamiltonians from first principles. We show that the complex band structure around…
Vacancies are prevalent and versatile in solid-state physics and materials science. The role of vacancies in strongly correlated materials, however, remains uncultivated until now. Here, we report the discovery of an unprecedented vacancy…
In triangular lattice structures, spatial anisotropy and frustration can lead to rich equilibrium phase diagrams with regions containing complex, highly entangled states of matter. In this work we study the driven two-rung triangular…
As the dimensionality is reduced, the world becomes more and more interesting; novel and fascinating phenomena show up which call for understanding. Physics in one dimension is a fascinating topic for theory and experiment: for the former…
Ab initio calculations have been performed to unravel the origin of the recently found superlattice peaks in the trilayer nickelate La$_4$Ni$_3$O$_8$. These peaks arise from static charge ordering of Ni$^{2+}$/ Ni$^{1+}$ stripes oriented at…
Interesting emergent behavior in quantum materials arises when the interaction of electrons with the lattice leads to partial localization and ordering of charge at low temperatures. The triangular lattice of some transition metal…
We carry out first-principles density-functional-theory calculations to elucidate the polarization switching mechanism in charge-ordering-induced ferroelectrics based on the prototypical case of the (SrVO$_3$)$_1$(LaVO$_3$)$_1$…
We investigate the magnetic order and related strongly-correlated effects in an one-dimensional Ising-Kondo lattice with transverse field. This model is the anisotropic limit of the conventional isotropic Kondo lattice model, in the sense…