相关论文: Efficient magnetic superstructure optimization wit…

Motivated by the iron pnictides, we examine the spin excitations in an itinerant antiferromagnet where a spin-density wave (SDW) originates from an excitonic instability of nested electron-like and hole-like Fermi pockets. Using the random…

We demonstrate that a recently introduced heuristic optimization algorithm [Phys. Rev. E 83, 046709 (2011)] that combines a local search with triadic crossover genetic updates is capable of sampling nearly uniformly among ground-state…

Orbital-free density functional theory as an extension of traditional Thomas-Fermi theory has attracted a lot of interest in the past decade because of developments in both more accurate kinetic energy functionals and highly efficient…

We report an analysis of the effects of magnetic field on a quasi-one-dimensional band of interacting electrons with a transverse dimerizing potential. One-particle problem in bond-antibond representation is solved exactly. The resulting…

Spin relaxation and decoherence is at the heart of spintronics and spin-based quantum information science. Currently, theoretical approaches that can accurately predict spin relaxation of general solids including necessary scattering…

Recent experiments have shown that the nonzero center of mass momentum pair density wave (PDW) is a widespread phenomenon observed over different superconducting materials. However, concrete theoretical model realizations of the PDW order…

The rotation period of some planet-hosting stars appears to be in close commensurability with the orbital period of their close-by planets. A model is proposed to interpret such a phenomenon based on the excitation of resonant oscillations…

To investigate inelastic electron scattering, which is ubiquitous in various fields of study, we carry out ab initio study of the real-time dynamics of a one-dimensional electron wave packet scattered by a hydrogen atom using different…

Thermally Activated Delayed Fluorescence (TADF) emitters must satisfy two competing requirements: small singlet-triplet energy gaps for thermal upconversion and sufficient spin-orbit coupling for fast reverse intersystem crossing.…

We propose a simple effective model to describe FeAs superconductors. This model is based on the assumption of a local spin-density-wave (SDW) order, with its magnetization direction allowed to fluctuate. It is shown that the long-range…

We present ab-initio electronic structure results on the surface of sqr3 adsorbates. In particular, we address the issue of metal-insulator instabilities, charge-density-waves (CDWs) or spin-density-waves (SDWs), driven by partly filled…

In this work we present a new basis set for electronic structures (Density Functional Theory (DFT)) calculations. This basis set extends Soler Williams Linearized Augmented Plane Wave (SLAPW) basis sets by allowing variable Muffin Tin (MT)…

Accelerating the discovery of mechanical properties in combinatorial materials requires autonomous experimentation that accounts for both instrument behavior and experimental cost. Here, an automated nanoindentation (AE-NI) framework is…

An exact quantization of the spherical membrane moving in flat target spacetime backgrounds is performed. Crucial ingredients are the exact integrabilty of the $3D~SU(\infty)$ continuous Toda equation and the quasi-finite highest weight…

Magnetoresistance in the spin-density wave (SDW) state of (TMTSF)2PF6 is known to exhibit a rich variety of the angular dependencies when a magnetic field B is rotated in the b'-c*, a-b' and a-c* planes. In the presence of a magnetic field…

We provide a full characterization of the spectral properties of spiral spin density wave (SSDW) states which emerge in one-dimensional electron systems coupled to localized magnetic moments or quantum wires with spin-orbit interactions. We…

Alkali-metal optically-pumped magnetometers are prone to inaccuracies arising from the overlap of the average F = I + 1/2 and F = I - 1/2 ground-state Zeeman resonances. We employ density-matrix simulations and experiments to investigate…

We study the spin-resolved spectral properties of the impurity states associated to the presence of magnetic impurities in two-dimensional, as well as one-dimensional systems with Rashba spin-orbit coupling. We focus on Shiba bound states…

We present a numerical approach to efficiently calculate spin-wave dispersions and spatial mode profiles in magnetic waveguides of arbitrarily shaped cross section with any non-collinear equilibrium magnetization which is translationally…

We provide {\it a priori} error estimates for the spectral and pseudospectral Fourier (also called planewave) discretizations of the periodic Thomas-Fermi-von Weizs\"acker (TFW) model and of the Kohn-Sham model, within the local density…