Related papers: A first-principles DFT+GW study of spin-filter and…
The electronic structure and magnetic properties of the strongly correlated material La$_2$O$_3$Fe$_2$Se$_2$ are studied by using both the density function theory plus $U$ (DFT+$U$) method and the DFT plus Gutzwiller (DFT+G) variational…
We consider theoretically the electronic structure of quasi-two and quasi-one-dimensional heterostructures comprised of III-V and II-VI semiconductors such as InAs/GaInSb and HgCdTe. We show that not only a Dirac-like dispersion exists in…
We study the electronic structure near impurities in the d-density-wave (DDW) state, a possible candidate phase for the pseudo-gap region of the high-temperature superconductors. We show that the local DOS near a non-magnetic impurity in…
Ternary semiconducting or metallic half-Heusler compounds with an atomic composition 1:1:1 are widely studied for their flexible electronic properties and functionalities. Recently, a new material property of half-Heusler compounds was…
Spin injection efficiency based on conventional and/or half-metallic ferromagnet/semiconductor is greatly limited by the Schmidt obstacle due to conductivity mismatch, here we proposed that by replacing the metallic injectors with spin…
We have investigated the group 14 nitrides (M$_3$N$_4$) in the spinel phase ($\gamma$-M$_3$N$_4$ with M= C, Si, Ge and Sn) and $\beta$ phase ($\beta$-M$_3$N$_4$ with M= Si, Ge and Sn) using density functional theory with the local density…
Magnetic topological insulators and semi-metals have a variety of properties that make them attractive for applications including spintronics and quantum computation, but very few high-quality candidate materials are known. In this work, we…
A finite electronic band gap is a standard filter in high-throughput screening of materials using density functional theory (DFT). However, because of the systematic underestimation of band gaps in standard DFT approximations, a number of…
We propose that a magnetic quantum wire composed of magnetic and non-magnetic atomic sites can be used as a spin filter for a wide range of applied bias voltage. We adopt a simple tight-binding Hamiltonian to describe the model where the…
In the recent decade, the family of Heusler compounds has attracted tremendous scientific and technological interest in the field of spintronics. This is essentially due to their exceptional magnetic properties, which qualify them as…
Spin injection efficiency based on conventional ferromagnet (or half-metallic ferromagnet) /semiconductor is greatly limited by the Schmidt obstacle due to conductivity mismatch, here we proposed that by replacing the metallic injectors…
Graphene has attracted a great interest in material science due to its novel electronic structrues. Recently, magnetism discovered in graphene based systems opens the possibility of their spintronics application. This paper provides a…
We apply density functional theory, in the local density approximation, to a quasi-one-dimensional electron gas in order to quantify the effect of Coulomb and correlation effects in modulating, and therefore patterning, the charge density…
Graphene nanodisk is a graphene derivative with a closed edge. The trigonal zigzag nanodisk with size $N$ has $N$-fold degenerated zero-energy states. A nanodisk can be interpletted as a quantum dot with an internal degree of freedom. The…
Employing the self-consistent Green's function approach, we studied the temperature dependence of the spin-wave stiffness in diluted magnetic semiconductors. Note that the Green's function approach includes the spatial and temperature…
Half-metallic ferromagnetic (HMF) materials show high spin polarization and are therefore interesting to researchers due to their possible applications in spintronic devices. In these materials, while one spin sub band has a finite density…
We use a recently developed self-consistent $GW$ approximation to present systematic \emph{ab initio} calculations of the conduction band spin splitting in III-V and II-V zincblende semiconductors. The spin orbit interaction is taken into…
Spintronics has become a broad and important research field that intersects with magnetism, nano-electronics, and materials science. Its overarching aim is to provide a fundamental understanding of spin-dependent phenomena in solid-state…
We introduce an efficient finite-element approach for large-scale real-space pseudopotential density functional theory (DFT) calculations incorporating noncollinear magnetism and spin-orbit coupling. The approach, implemented within the…
This review compiles results of experimental and theoretical studies on thin films and quantum structures of semiconductors with randomly distributed Mn ions, which exhibit spintronic functionalities associated with collective ferromagnetic…