Related papers: A first-principles DFT+GW study of spin-filter and…
A brief review of experimental and theoretical studies of half-metallic ferromagnets (HMF) and spin gapless semiconductors (SGS) is given. The data on resistivity and magnetoresistivity are presented. An important role of non-quasiparticle…
Optically active spin defects in van der Waals (vdW) materials have recently emerged as versatile quantum sensors, enabling applications from nanoscale magnetic field detection to the exploration of novel quantum phenomena in condensed…
The search for high-performance spintronic materials motivates the exploration of Heusler alloys with unconventional electronic properties. Using density functional theory with Hubbard correction (DFT+$U$, $U = 4$ eV), we investigate…
A review of new developments in theoretical and experimental electronic structure investigations of half-metallic ferromagnets (HMF) is presented. Being semiconductors for one spin projection and metals for another ones, these substances…
Superconductors are materials with zero electrical resistivity and the ability to expel magnetic fields known as the Meissner effect. Their dissipationless diamagnetic response is central to magnetic levitation and circuits such as quantum…
Theoretical studies of semiconductors and band insulators are usually based on variants of the $GW$ method without full self-consistency, like single-shot $G^0W^0$ or quasiparticle self-consistent $GW$. Fully self-consistent $GW$ provides a…
This paper presents a detailed investigation of FeCr-based quaternary Heusler alloys. By using ultrasoft pseudopotential, electronic and magnetic properties of the compounds are studied within the framework of Density Functional Theory…
We report the theoretical prediction of a new class of spintronic materials, namely bipolar magnetic semiconductor (BMS), which is also supported by our experimental data. BMS acquires a unique band structure with unequal band gaps for spin…
We present systematic quantitative description of the magnetoconductance of the split-gate quantum wires. Accounting for the exchange and correlation interactions within the spin density function theory (DFT) leads to the lifting of the…
We present a method to calculate the electronic charge density of periodic solids in the GW approximation, using the space-time method. We investigate for the examples of silicon and germanium to what extent the GW approximation is…
We present an ab initio approach to electronic transport in nanoscale systems which includes electronic correlations through the GW approximation. With respect to Landauer approaches based on density-functional theory (DFT), we introduce a…
Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi Heusler compounds have been calculated within the one-shot GW approximation in an all-electron framework without adjustable parameters. For Co2FeSi the many-body…
Newly emerged materials from the family of Heuslers and complex oxides exhibit finite bandgaps and ferromagnetic behavior with Curie temperatures much higher than even room temperature. In this work, using the semiclassical…
We review the electronic and magnetic properties of the quinternary full Heusler alloys of the type Co$_2$[Cr$_{1-x}$Mn$_x$][Al$_{1-y}$Si$_y$] employing three different approaches : (i) the coherent potential approximation (CPA), (ii) the…
The ideal diode is a theoretical concept that completely conducts the electric current under forward bias without any loss and that behaves like a perfect insulator under reverse bias. However, real diodes have a junction barrier that…
For the last years spin effects in semiconductors have been of great interest not only in the context of solid state physics, but also for their potential usage in technology. In this paper we give a short review of spintronic materials, in…
We propose a spintronic metal oxide semiconductor field effect transistor (spin MOSFET) where a spin gapless semiconductor (SGS) constitutes the channel and the drain is a ferromagnetic metal. SGS exhibit a non-zero band gap in only one of…
We present first-principles density functional calculations of the electronic structure, magnetism, and structural stability of 378 $\textit{XYZ}$ half-Heusler compounds (with $X=$ Cr, Mn, Fe, Co, Ni, Ru, Rh, $Y=$ Ti, V, Cr, Mn, Fe, Ni,…
Electrons in zero external magnetic field can be studied with density functional theory (DFT) or with spin-DFT (SDFT). The latter is normally used for open shell systems because its approximations appear to model better the exchange and…
Van der Waals semiconducting magnets exhibit a cornucopia of physical phenomena originating from the interplay of their semiconducting and magnetic properties. However, a comprehensive understanding of how semiconducting processes and…