Related papers: Systematic Magnetic Structure Generation Based on …
A description of non-collinear magnetism in the framework of spin-density functional theory is presented for the exact exchange energy functional which depends explicitly on two-component spinor orbitals. The equations for the effective…
Rotating magnetic structures are common in astrophysics, from vortex tubes and tornados in the Sun all the way to jets in different astrophysical systems. The physics of these objects often combine inertial, magnetic, gas pressure and…
As a genuine many-body entanglement, spin squeezing (SS) can be used to realize the highly precise measurement beyond the limit constrained by classical physics. Its generation has attracted much attention recently. It was reported that $N$…
In this paper, we present a new module to predict the potential surface reconstruction configurations of given surface structures in the framework of our machine learning and graph theory assisted universal structure searcher (MAGUS). In…
Multiscale simulation is a key research tool for the quest for new permanent magnets. Starting with first principles methods, a sequence of simulation methods can be applied to calculate the maximum possible coercive field and expected…
Altermagnets have been identified as the third category of magnetic materials, exhibiting momentum-dependent spin splitting characterized by even powers of momentum. In this study, we show that when subjected to elliptically polarized…
In this paper, it is presented a novel strategy to optimize the determination of magnetic couplings by using ab-initio calculations of the energy. This approach allows determining efficiently, in terms of a proposed effective magnetic spin…
Magneto-oscillations in two-dimensional systems with spin-orbit interaction are typically characterized by fast Shubnikov-de~Haas (SdH) oscillations and slower spin-orbit-related beatings. The characterization of the full SdH oscillatory…
Solid state theory, density functional theory and its generalizations for correlated systems together with numerical simulations on supercomputers allow nowadays to model magnetic systems realistically and in detail and can be even used to…
We describe an ab initio theory of finite temperature magnetism in strongly-correlated electron systems. The formalism is based on spin density functional theory, with a self-interaction corrected local spin density approximation…
From new neutron powder diffraction experiments on the chiral cubic ($P2{_1}3$) magnet manganese germanide MnGe, we analyse all of the possible crystal symmetry-allowed magnetic superstructures that are determined successfully from the…
The complicated mesoscopic configurations of composite plate and shell structures requires a huge amount of computational overhead for directly simulating their mechanical problems. In this paper, a unified high-order multi-scale method,…
We present an open-source software package IRSSG for investigating magnetic systems with spin space groups (SSGs). The package works within the density functional theory (DFT) framework and requires wavefunctions from DFT codes, such as…
Finding the true magnetic structure at given external conditions is crucial for describing magnetic materials and predicting their properties. This is especially important for high-throughput screening of potentially good magnets that…
Spin-orbit coupling (SOC) in noncentrosymmetric materials is the source of incommensurate magnetic structures. In semiconductors, it drives the Rashba spin splitting and spin momentum locking, while in magnetic insulators based on…
Magnetic fields can drastically change predictions of evolutionary models of massive stars via mass-loss quenching, magnetic braking, and efficient angular momentum transport, which we aim to quantify in this work. We use the MESA software…
For $m$ number of bosons, carrying spin ($S$=1) degree of freedom, in $\Omega$ number of single particle orbitals, each triply degenerate, we introduce and analyze embedded Gaussian orthogonal ensemble of random matrices generated by random…
Despite the rapidly evolving field of computational electromagnetics, few open-source tools have managed to tackle the problem of automatic mesh generation for properly discretizing the problem of interest into a finite set of elements…
Materials that change their magnetic properties in response to the external stimuli have long been of interest for their potential applicability in magnetic storage device, spintronics and smart magnetic materials. Organic materials are…
Generative models are revolutionizing materials discovery by enabling inverse design-direct generation of structures from desired properties. However, existing approaches often struggle to ensure inherent stability and symmetry while…