相关论文: High-throughput search for magnetic topological ma…
In the active search for potentially promising candidates for spintronic applications, we focus on the intermetallic ferromagnetic Mn5Ge3 compound and perform accurate first-principles FLAPW calculations within density functional theory.…
Transition metal penta-tellurides, ZrTe5 and HfTe5 have been recently drawn a lot of attention due to their fascinating physical properties and for being prominent materials showing topological phase transitions. In this study, we…
We discover many new crystalline solid materials with fast single crystal Li ion conductivity at room temperature, discovered through density functional theory simulations guided by machine learning-based methods. The discovery of new solid…
Disorder in magnetic materials prevents reliable control of spin textures and constrains their integration into spintronic devices. Existing methods access disorder only indirectly through external imaging probes or bulk transport…
Organic charge transfer salts show a variety of complex phases ranging from antiferromagnetic long-range order, spin liquid, bad metal or even superconductivity. A powerful method to investigate magnetism is spin-polarized inelastic neutron…
Topological states of matter possess bulk electronic structures categorized by topological invariants and edge/surface states due to the bulk-boundary correspondence. Topological materials hold great potential in the development of…
Moir\'e-twisted materials have garnered significant research interest due to their distinctive properties and intriguing physics. However, conducting first-principles studies on such materials faces challenges, notably the formidable…
Density functional theory (DFT) provides a theoretical framework for efficient and fairly accurate calculations of the electronic structure of molecules and crystals. The main features of density functional theory are described and DFT…
Intrinsic topological superconducting materials are exotic and vital to develop the next-generation topological superconducting devices, topological quantum calculations, and quantum information technologies. Here, we predict the…
Spintronics, a transformative field of research, leverages the spin of electron to revolutionize electronic devices, offering significant advantages over traditional charge-based systems. This chapter highlights the critical role of novel…
Two-dimensional (2D) ferromagnetic materials are considered as promising candidates for the future generations of spintronic devices. Yet, 2D materials with intrinsic ferromagnetism are scarce. High-throughput first-principles simulations…
The discovery of topological quantum states marks a new chapter in both condensed matter physics and materials sciences. By analogy to spin electronic system, topological concepts have been extended into phonons, boosting the birth of…
Nuclear magnetic resonance (NMR) and transport measurements have been performed at high magnetic fields and low temperatures in a series of $n$-type Bi$_{2}$Se$_{3}$ crystals. In low density samples, a complete spin polarization of the…
Topological materials have attracted considerable experimental and theoretical attention. They exhibit strong spin-orbit coupling both in the band structure (intrinsic) and in the impurity potentials (extrinsic), although the latter is…
High-throughput (HTP) $ab$ $initio$ calculations are performed on 27,865 Heusler compositions, covering a broad range of regular, inverse, and half-Heusler compounds in both cubic and tetragonal phases. In addition to conventional stability…
We present a method of calculation of the effective magnetic permeability of magnonic metamaterials containing periodically arranged magnetic inclusions of arbitrary shapes. The spectrum of spin wave modes confined in the inclusions is…
The spintronic properties of curved nanostructures derived from two-dimensional topological insulators (2DTI's) are explored theoretically with density functional theory-based (DFT) calculations and tight-binding models. We show that curved…
Topological quantum materials, with novel spin textures and broken crystal symmetries are suitable candidates for spintronic memory technologies. Their unique electronic properties, such as protected surface states and exotic…
High-throughput calculations are a very promising tool for screening a large number of compounds in order to discover new useful materials. Ternary intermetallic are thus investigated in the present work to find new compounds potentially…
We propose an experiment-based strategy for finding new high transition temperature superconductors that is based on the well-established spin fluctuation magnetic gateway to superconductivity in which the attractive quasiparticle…