相关论文: Efficient magnetic superstructure optimization wit…

Several kinds of spin density wave (SDW) states with both quarter-filled band and dimerization are reexamined for a one-dimensional system with on-site, nearest-neighbor and next-nearest-neighbor repulsive interactions, which has been…

Recently, the signs of both superconducting transition temperature (Tc) beyond 60 K and spin density wave (SDW) have been observed in FeSe thin film on SrTiO3 (STO) substrate, which suggests a strong interplay between superconductivity and…

Topological insulators (TIs) are a promising class of materials for manipulating the magnetization of an adjacent ferromagnet (FM) through the spin-orbit torque (SOT) mechanism. However, current studies combining TIs with conventional FMs…

In a Hilbert space $H$, in order to develop fast optimization methods, we analyze the asymptotic behavior, as time $t$ tends to infinity, of inertial continuous dynamics where the damping acts as a closed-loop control. The function $f: H…

The most effective use of data from current and upcoming large scale structure~(LSS) and CMB observations requires the ability to predict the clustering of LSS with very high precision. The Effective Field Theory of Large Scale Structure…

Among Heusler compounds, the ones being magnetic semiconductors (also known as spin-filter materials) are widely studied as they offer novel functionalities in spintronic/magnetoelectronic devices. The spin-gapless semiconductors are a…

Many recent advances in computer vision have demonstrated the impressive power of dense and nonsubmodular energy functions in solving visual labeling problems. However, minimizing such energies is challenging. None of existing techniques…

The emerging all-van der Waals (vdW) magnetic heterostructure provides a new platform to control the magnetization by the electric field beyond the traditional spintronics devices. One promising strategy is using unconventional spin-orbit…

As spintronic devices become more and more prevalent, the desire to find Pt free materials with large spin Hall effects is increasing. Previously it was shown that Beta W, the metastable A15 structured variant of pure W, has charge-spin…

First-principles density functional theory (DFT) with plane wave (PW) basis set is the most widely used method in quantum mechanical material simulations due to its advantages in accuracy and universality. However, a perceived drawback of…

In connection with the optimization problem $$\inf_{x\in argmin \Psi}\{\Phi(x)+\Theta(x)\},$$ where $\Phi$ is a proper, convex and lower semicontinuous function and $\Theta$ and $\Psi$ are convex and smooth functions defined on a real…

Consider the numerical integration $${\rm Int}_{\mathbb S^d,w}(f)=\int_{\mathbb S^d}f({\bf x})w({\bf x}){\rm d}\sigma({\bf x}) $$ for weighted Sobolev classes $BW_{p,w}^r(\mathbb S^d)$ with a Dunkl weight $w$ and weighted Besov classes…

Real-Time Time-Dependent Density Functional Theory (TDDFT) has become an attractive tool to model quantum dynamics on a first-principles Density Functional Theory level. In recent years, several developments and applications in this field…

We investigate the efficient learning of magnetic phases using artificial neural networks trained on synthetic data, combining computational simplicity with physics-informed strategies. Focusing on the diluted Ising model, which lacks an…

Recent inelastic neutron scattering studies by Pan et al., Nature Communications 8, 123 (2017), find evidence for spin excitations at energies above the quasi-particle gap in an iron-selenide high-Tc superconductor. The momenta of the spin…

The concept of frustrated phase separation is applied to investigate its consequences for the electronic structure of the high T_c cuprates. The resulting incommensurate charge density wave (CDW) scattering is most effective in creating…

Numerical techniques to efficiently model out-of-equilibrium dynamics in interacting quantum many-body systems are key for advancing our capability to harness and understand complex quantum matter. Here we propose a new numerical approach…

Progress towards the energy breakthroughs needed to combat climate change can be significantly accelerated through the efficient simulation of atomic systems. Simulation techniques based on first principles, such as Density Functional…

We present the first calculations of the inelastic part of the dynamical structure factor (DSF) for warm dense matter (WDM) using Time-Dependent Orbital-Free Density Functional Theory (TD-OF-DFT) and Mixed-Stochastic-Deterministic (mixed)…

We construct stationary global configurations of both aligned and unaligned logarithmic spiral perturbations in a composite disc system of stellar and isopedically magnetized gaseous singular isothermal discs (SIDs) coupled by gravity. The…