Related papers: Lattice dynamical properties of antiferromagnetic …
The dynamical mean field theory (DMFT), which is successful in the study of strongly correlated fermions, was recently extended to boson systems [Phys. Rev. B {\textbf 77}, 235106 (2008)]. In this paper, we employ the bosonic DMFT to study…
We study ground-state properties and the low-lying excitations of Heisenberg spin ladders composed of two ferrimagnetic chains with alternating site spins $(S_1>S_2)$ by using the bosonic Dyson-Maleev formalism and Lanczos numerical…
In order to resolve the long-standing issue of how the itinerant ferromagnetism is affected by the lattice structure and Hund's coupling, we have compared various three-dimensional lattice structures in the single- and multiorbital Hubbard…
A nonperturbative method to obtain on- and off-site one-particle Green's function is introduced and applied to noninteracting Hubbard model with next nearest neighbor hopping and interacting Hubbard model in large dimensions, for example.…
We theoretically investigate nonlinear localized excitations in a Heisenberg honeycomb ferromagnet with a second neighbour Dzialozinskii-Moriya interaction, which has been proved to possess the topological band structure. Using the…
We report the lattice dynamics of transition metal thin films by using the ultrafast electron diffraction. We observe a suppression of the diffraction intensity in a few picosecond after the photoexcitation, which is directly interpreted as…
We present in full detail a newly developed formalism enabling density functional perturbation theory (DFPT) calculations from a DFT+$U$ ground state. The implementation includes ultrasoft pseudopotentials and is valid for both insulating…
Spectral distribution functions of electron-phonon interaction $\alpha^2F(\omega )$ obtained by ab initio linear--response calculations are used to describe various superconducting and transport properties in a number of elemental metals…
We implemented a rotationally-invariant Hubbard U extension to density-functional theory in the Car-Parrinello molecular dynamics framework, with the goal of bringing the accuracy of the DFT+U approach to finite-temperature simulations,…
We study the lattice dynamics of iron superconductor FeSe, and address the fundamental question of how important is proper description of fluctuating magnetic moments in metallic systems for phonon dispersion and phonon density of states.…
In the paper a self-consistent theoretical description of the lattice and magnetic properties of a model system with magnetoelastic interaction is presented. The dependence of magnetic exchange integrals on the distance between interacting…
In order to describe unbalanced ultracold fermionic quantum gases on optical lattices in a harmonic trap, we investigate an attractive ($U<0$) asymmetric ($t_\uparrow\neq t_\downarrow$) Hubbard model with a Zeeman-like magnetic field. In…
LaMn$_7$O$_{12}$, a quadruple perovskite oxide (AA'$_3$B$_4$O$_{12}$-type), has attracted attention for its notable bifunctional activity in oxygen evolution and reduction reactions. Here, we systematically investigate the magnetic phase…
We consider the 2D Hubbard model on the honeycomb lattice, as a model for a single layer graphene sheet in the presence of screened Coulomb interactions. At half filling and weak enough coupling, we compute the free energy, the ground state…
A semimetal-insulator transition in the Hubbard model on the honeycomb lattice is studied by using the dynamical mean field theory. Electrons in the honeycomb lattice resemble the Dirac electron liquid and for weak interactions the system…
A self-consistent calculation scheme for correlated electron systems is created based on the density-functional theory (DFT). Our scheme is a multi-reference DFT (MR-DFT) calculation in which the electron charge density is reproduced by an…
We consider 1D lattices described by Hubbard or Bose-Hubbard models, in the presence of periodic high-frequency perturbations, such as uniform ac force or modulation of hopping coefficients. Effective Hamiltonians for interacting particles…
The interference patterns of ultracold atoms, observed after ballistic expansion from optical lattices, encode essential information about strongly correlated lattice systems, including phase coherence and non-local correlations. While the…
We propose to realize the itinerant ferromagnetism of two-component cold fermionic atoms in the $p$-orbital bands in optical lattices. The band flatness in the two-dimensional honeycomb lattice dramatically amplifies the interaction effect…
For fast and accurate calculations of band gaps of solids, we present an {\it ab initio} method that extends the density functional theory plus on-site Hubbard interaction (DFT+$U$) to include inter-site Hubbard interaction ($V$). This…