相关论文: High-throughput search for magnetic topological ma…
Topological materials discovery has evolved at a rapid pace over the past 15 years following the identification of the first nonmagnetic topological insulators (TIs), topological crystalline insulators (TCIs), and 3D topological semimetals…
The search for topological phases of matter is evolving towards strongly interacting systems, including magnets and superconductors, where exotic effects emerge from the quantum-level interplay between geometry, correlation and topology.…
Explicit incorporation of magnetic degrees of freedom in machine-learning interatomic potentials (magnetic MLIPs) plays a crucial role in the correct description of magnetic materials and their properties. An important ingredient for…
The Organic Materials Database (OMDB) is an open database hosting about 22,000 electronic band structures, density of states and other properties for stable and previously synthesized 3-dimensional organic crystals. The web interface of the…
On the textbook example of an isolated antiferromagnetic Heisenberg dimer, we demonstrate that the magnetic form factor and the magnetic electron density distribution can be extracted from the momentum-dependence of the inelastic neutron…
In this work, high throughput DFT calculations are performed on the alkali metal-based half Heusler alloys; LiY$_p$Y$^\prime_{1-p}$S (Y, Y$^\prime$ = V, Cr, Mn, Fe, Co, Ni and $\mathit{p}$ = 0, 0.25, 0.5, 0.75, 1). Starting with 243…
An exciting development over the past few decades has been the use of high-throughput computational screening as a means of identifying promising candidate materials for a variety of structural or functional properties. Experimentally, it…
The development of new materials is a core aspect of advancement in synthesis and application for industry. There is a vast number of possible chemical permutations of the basic elements that can be explored to synthesize materials that…
The discovery and realization of topological insulators, a phase of matter which hosts metallic boundary states when the $d$-dimension insulating bulk is confined to ($d-1$)-dimensions, led to several potential applications. Recently, it…
Crystal-graph attention networks have emerged recently as remarkable tools for the prediction of thermodynamic stability and materials properties from unrelaxed crystal structures. Previous networks trained on two million materials…
A method for measuring the degree of spin polarization of magnetic materials based on spin-dependent resonant tunneling is proposed. The device we consider is a ballistic double-barrier resonant structure consisting of a ferromagnetic layer…
A versatile method for combining density functional theory (DFT) in the local density approximation (LDA) with dynamical mean-field theory (DMFT) is presented. Starting from a general basis-independent formulation, we use Wannier functions…
Spin waves - the elementary excitations of magnetic materials - are prime candidate signal carriers for low dissipation information processing. Being able to image coherent spin-wave transport is crucial for developing interference-based…
We use a data-driven approach to study the magnetic and thermodynamic properties of van der Waals (vdW) layered materials. We investigate monolayers of the form A$_2$B$_2$X$_6$, based on the known material Cr$_2$Ge$_2$Te$_6$, using density…
Magnetic topological semimetals (TSMs) are topological quantum materials with broken time-reversal symmetry (TRS) and isolated nodal points or lines near the Fermi level. Their topological properties would typically reveal from the…
Recent experiments demonstrate that spin dynamics may acquire an inertial effect in a few metallic magnets, deviating from the traditional inertia-free dynamics. It remains an open question to ascertain the physical mechanisms and…
The theory of symmetry indicators has enabled database searches for topological materials in normal conducting phases, which has led to several encyclopedic topological material databases. To date, such a database for topological…
Three dimensional (3D) topological insulators are novel states of quantum matter that feature spin-momentum locked helical Dirac fermions on their surfaces and hold promise to open new vistas in spintronics, quantum computing and…
Magnetotransport measurements are a popular way of characterizing the electronic structure of topological materials and often the resulting datasets cannot be described by the well-known Drude model due to large, non-parabolic…
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…