Related papers: A first-principles DFT+GW study of spin-filter and…
We theoretically design a graphene-based all-organic ferromagnetic semiconductor by terminating zigzag graphene nanoribbons (ZGNRs) with organic magnets. A large spin-split gap with 100% spin polarized density of states near the Fermi…
Recently the Quantum Spin Hall effect (QSH) was theoretically predicted and experimentally realized in a quantum wells based on binary semiconductor HgTe[1-3]. QSH state and topological insulators are the new states of quantum matter…
The abundance of semiconductors in our smartphones, computers, fiber optic junctions, cars, light sources, photovoltaic and thermoelectric cells results from the possibilities of controlling their properties through doping, lighting, and…
A key element in the emergence of a full spintronics technology is the development of voltage controlled spin filters to selectively inject carriers of desired spin into semiconductors. We previously demonstrated a prototype of such a…
Weyl semimetals are prominent examples of topologically protected quantum matter. These materials are the three-dimensional counterparts of graphene and great efforts are being devoted to achieve a thorough understanding of their…
Hybrid structures combining ferromagnetic (FM) and semiconductor constituents have great potential for future applications in the field of spintronics. A systematic approach to study spin-dependent transport in the GaMnAs/GaAs/InGaAs…
Heuslers are a prominent family of multi-functional materials that includes semiconductors, half metals, topological semimetals, and magnetic superconductors. Owing to their same crystalline structure, yet quite different electronic…
Electronic, transport, and spin properties of grain boundaries (GBs) are investigated in electrostatically doped graphene at finite electron densities within the Hartree and Hubbard approximations. We demonstrate that depending on the…
Spintronics aims to exploit the spin degree of freedom in solid state devices for data storage and information processing technologies. The fundamental spintronic device concepts such as creation, manipulation and detection of spin…
Heusler alloys have been intensively studied due to the wide variety of properties that they exhibit. One of these properties is of particular interest for technological applications, i.e. the fact that some Heusler alloys are…
We present a comprehensive ab initio investigation on Mg$_3$Bi$_2$, a promising Mg-ion battery anode material with high rate capacity. Through combined DFT (PBE, HSE06) and $G_0W_0$ electronic structure calculations, we find that…
Spin waves are promising information carriers which can be used in modern magnonic devices, characterized by higher performance and lower energy consumption than presently used electronic circuits. However, before practical application of…
We employ first-principles techniques tailored to properly describe semiconductors (modified Becke-Johnson potential added to the exchange-correlation functional), to obtain the electronic band structures of both the zinc-blende and…
In this paper, a new generation of magnet-free circulators with high performance is proposed. Circulators are crucial devices in modern communication systems due to their ability to enable full-duplexing and double the spectral efficiency…
We have investigated the electronic structure of fluorite Cu$_{2}$Se using density functional theory calculations within the LDA, PBE and AM05 approximations as well as with the non-local hybrid PBE0 and HSE approximations. Our results show…
Higgs mode in superconducting materials describes slowly-decaying oscillations of the order parameter amplitude. We demonstrate that in magnetic superconductors with built-in spin-splitting field Higgs mode is strongly coupled to the spin…
A spin metal-oxide-semiconductor field-effect-transistor (spin MOSFET), which combines a Schottky-barrier MOSFET with ferromagnetic source and drain contacts, is a promising device for spintronic logic. Previous simulation studies predict…
Fractionalization remains one of the most fascinating manifestations of strong interactions in quantum many-body systems. In quantum magnetism, the existence of spinons -- collective magnetic excitations that behave as quasiparticles with…
Structure factors obtained from diffraction experiments are one of the most important quantities for characterizing the electronic and structural properties of materials. Methods for calculating this quantity from plane-wave density…
Hybrid functionals' non-local exchange-correlation potential contains a derivative discontinuity that improves on standard semi-local density functional theory (DFT) band gaps. Moreover, by careful parameterization, hybrid functionals can…