相关论文: High-throughput search for magnetic topological ma…
We discuss the magnetic and topological properties of bulk crystals and quasi-two-dimensional thin films formed by stacking intrinsic magnetized topological insulator ( for example Mn(Sb$_{x}$Bi$_{1-x}$)$_2$X$_4$ with X = Se,Te, including…
Interacting spins in quantum magnet can cooperate and exhibit exotic states like the quantum spin liquid. To explore the materialization of such intriguing states, the determination of effective spin Hamiltonian of the quantum magnet is…
Transition-state searches are central to understanding reaction mechanisms, but the high computational cost of density-functional theory (DFT) limits their application in high-throughput catalyst and materials discovery. Machine-learned…
The structure and static magnetic properties - saturation magnetization, perpendicular anisotropy, spectroscopic g-factor, and orbital magnetization - of thin-film 3d transition metal alloys are determined over the full range of alloy…
The effective mass of charge carriers is a fundamental descriptor of the electronic structure of materials, and can be used to assess performance in electronics applications, or to screen for thermoelectrics and transparent conductors.…
Scanning probe microscopy and spectroscopy, and more recently in combination with electron spin resonance, have allowed the direct observation of electron dynamics on the single-atom limit. The interpretation of data is strongly depending…
We report the construction of a three-dimensional template bank for the search for gravitational waves from inspiralling binaries consisting of spinning compact objects. The parameter space consists of two dimensions describing the mass…
A central challenge in high throughput density functional theory (HT-DFT) calculations is selecting a combination of input parameters and post-processing techniques that can be used across all materials classes, while also managing…
Conventionally, high-throughput computational materials searches start from an input set of bulk compounds extracted from material databases, and this set is screened for candidate materials for specific applications. In contrast, many…
The combination of magnetism and topology in magnetic topological insulators (MTIs) has led to unprecedented advancements of time reversal symmetry-breaking topological quantum physics in the past decade. Compared with the uniform films,…
Reducing energy dissipation while increasing speed in computation and memory is a long-standing challenge for spintronics research. In the last 20 years, femtosecond lasers have emerged as a tool to control the magnetization in specific…
Based on high-throughput density functional theory calculations, we evaluate the local magnetic moments and M\"ossbauer properties for Fe-based intermetallic compounds and employ machine learning to map the local crystalline environments to…
Phonons play a crucial role in many properties of solid state systems, such as thermal and electrical conductivity, neutron scattering and associated effects or superconductivity. Hence, it is expected that topological phonons will also…
Topological materials present unconventional electronic properties that make them attractive for both basic science and next-generation technological applications. The majority of currently known topological materials have been discovered…
Two dimensional materials are attracting new research for optoelectronics and spintronics due to their unique physical properties. A wide range of emerging spintronic devices are achieved from parent and doped two dimensional materials.…
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…
We develop a computational workflow for high-throughput Wannierization of density functional theory (DFT) based electronic band structure calculations. We apply this workflow to 1771 materials, and we create a database with the resulting…
To realize novel topological phases and to pursue potential applications in low-energy consumption spintronics, the study of magnetic topological materials is of great interest. Starting from the theory of nonmagnetic topological quantum…
Spin waves propagating through a stripe domain structure and reservoir computing with their spin dynamics have been numerically studied with focusing on the relation between physical phenomena and computing capabilities. Our system utilizes…
Topological insulators (TIs) are characterized by possessing metallic (gapless) surface states and a finite band-gap state in the bulk. As the thickness of a TI layer decreases down to a few nanometer, hybridization between the top and…