相关论文: Systematic Magnetic Structure Generation Based on …
Given a set of Kohn-Sham orbitals from an insulating system, we present a simple, robust, efficient and highly parallelizable method to construct a set of, optionally orthogonal, localized basis functions for the associated subspace. Our…
Spin-orbit coupling (SOC), the core of numerous condensed-matter phenomena such as nontrivial band gap, magnetocrystalline anisotropy, etc, is generally considered to be appreciable only in heavy elements, detrimental to the synthetization…
Recent study (Yuan et. al., Phys. Rev. B 102, 014422 (2020)) revealed a SOC-independent spin splitting and spin polarization effect induced by antiferromagnetic ordering which do not necessarily require breaking of inversion symmetry or the…
We propose a self-consistent method for electronic structure calculations of correlated systems, which combines the local spin-density approximation (LSDA) and the dynamical mean field theory (DMFT). The LSDA part is based on the exact…
The interplay between structural and magnetic properties of nanostructured magnetic materials allows to realize unconventional magnetic effects, which results in a demand for experimental techniques to determine the magnetization profile…
High-harmonic generation (HHG), a typical nonlinear optical effect, has been actively studied in electron systems such as semiconductors and superconductors. As a natural extension, we theoretically study HHG from electric polarization,…
Materials with spin-orbit coupling are of great interest for various spintronics applications due to the efficient electrical generation and detection of spin-polarized electrons. Over the past decade, many materials have been studied,…
To develop a more convenient subgrid-scale (SGS) model that performs well even in coarse grid cases, we investigate the transport and modeling of SGS turbulent kinetic energy (hereafter SGS energy) in turbulent channel flows based on the…
In this paper, we report on a correctly scaling novel coupled cluster singles and doubles (CCSD) implementation for arbitrary high-spin open-shell states. The chosen cluster operator is completely spin-free, i.e. employs spatial…
Iron-sulfur clusters comprise an important functional motif of the catalytic centers of biological systems, capable of enabling important chemical transformations at ambient conditions. This remarkable capability derives from a notoriously…
In this review we discuss self-consistent methods to calculate the global structure of strongly magnetised neutron stars within the general-relativistic framework. We outline why solutions in spherical symmetry cannot be applied to strongly…
Spin space groups, formed by operations where the rotation of the spins is independent of the accompanying operation acting on the crystal structure, are appropriate groups to describe the symmetry of magnetic structures with null…
The research on emergent particles in condensed matters has been attracting tremendous interest, and recently it is extended to magnetic systems. Here, we study the emergent particles stabilized by the symmetries of type-IV magnetic space…
(abridged) The interpretation of Faraday rotation measure maps of AGNs within galaxy clusters has revealed regions, $\sim 50-100$ kpc, that are populated with large, $\sim 30 \mu$ G magnetic fields. The magnetic energy of these coherent…
The Large Scale Structure (LSS) in the galaxy distribution is investigated using the Sloan Digital Sky Survey Early Data Release (SDSS EDR). Using the Minimal Spanning Tree technique we have extracted sets of filaments, of wall-like…
We perform a stochastic-homogenization analysis for composite materials exhibiting a random microstructure. Under the assumptions of stationarity and ergodicity, we characterize the Gamma-limit of a micromagnetic energy functional defined…
Structured state space models (SSMs) have recently emerged as a promising foundation for sequence modeling, with Mamba-based architectures demonstrating strong performance through input-dependent state transitions, albeit at considerable…
Altermagnetism, as an unconventional antiferromagnetism, exhibits collinear-compensated magnetic order in real space and spin-splitting band structure in reciprocal space. In this work, we propose a general approach to generating…
State space models (SSMs) have emerged as a powerful framework for modelling long-range dependencies in sequence data. Unlike traditional recurrent neural networks (RNNs) and convolutional neural networks (CNNs), SSMs offer a structured and…
An algorithm for the minimization of the energy of magnetic systems is presented and applied to the analysis of thermal configurations of a ferromagnet to identify inherent structures, i.e. the nearest local energy minima, as a function of…