Related papers: MgN: a new promising material for spintronic appli…
The effects of tetragonal strain on electronic and magnetic properties of strontium-doped lanthanum manganite, La_{2/3}Sr_{1/3}MnO_3 (LSMO), are investigated by means of density-functional methods. As far as the structural properties are…
The layered {\beta}-NaMnO2, a promising Na-ion energy-storage material has been investigated for its triangular lattice capability to promote complex magnetic configurations that may release symmetry restrictions for the coexistence of…
Over the past two decades, the research of (Ga,Mn)As has led to a deeper understanding of relativistic spin-dependent phenomena in magnetic systems. It has also led to discoveries of new effects and demonstrations of unprecedented…
Following the theoretical predictions of ferromagnetism in Mn- and Co-doped ZnO, several workers reported ferromagnetism in thin films as well as in bulk samples of these materials. While some observe room-temperature ferromagnetism, others…
The different crystal structures of ferromagnetic Ni$_2$MnGa have been calculated using density functional theory (DFT) with special emphasis on the modulated structures 10M and 14M. These are important for understanding the stability of…
Low temperature resistivity of CMR manganites is investigated. At the ground state, conduction electrons are perfectly spin polarized, which is called half-metallic. From one-magnon scattering processes, it is discussed that the resistivity…
We study the electronic state of an inverse spinel compound MnMg$_{2}$O$_{4}$ based on first-principles calculations. The high-spin state is realized in Mn ions on the diamond lattice, resulting in that this material is found to be a…
Li-based half-Heusler alloys have attracted much attention due to their potential applications in optoelectronics and because they carry the possibility of exhibiting large magnetic moments for spintronic applications. Due to their…
The results of first-principles electronic structure calculations for the nitrogen-rich nickel nitrides $ {\rm NiN} $ and $ {\rm Ni_2N} $ are presented. The calculations are based on density functional theory and used the generalized…
Spintronics has attracted wide attention by promising novel functionalities derived from both the electron charge and spin. While branching into new areas and creating new themes over the past years, the principal goals remain the spin and…
We investigate the electronic and magnetic properties of (Ga,Mn)N nanocrystals using the density functional theory. We study both wurtzite and zinc-blende structures doped with one or two substitutional Mn impurities. For a single Mn dopant…
In spintronics, one of the long standing questions is why the MgO-based magnetic tunnel junction (MTJ) is almost the only option to achieve a large tunnelling magnetoresistance (TMR) ratio at room temperature (RT) but not as large as the…
The interplay between half-metallic ferromagnetism and spin-orbit coupling within the inversion symmetry-broken structure of half Heuslers provides an ideal platform for various spintronics functionalities. Taking advantage of good lattice…
The structural, magnetic, and electronic properties of NdFe$_{0.5}$Mn$_{0.5}$O$_3$ have been studied in detail using bulk magnetization, neutron/x-ray diffraction and first principles density functional theory calculations. The material…
A new electronic structure principle, viz. the minimum magnetizability principle (MMP) has been proposed and also has been verified through ab initio calculations, to extend the domain of applicability of the conceptual density functional…
Ferromagnets with high spin polarization are known to be valuable for spintronics--a research field that exploits the spin degree of freedom in information technologies. Recently, antiferromagnets have emerged as promising alternative…
Doping of the graphene lattice with transition metal atoms resulting in high magnetic anisotropy energy (MAE) is an important goal of materials research owing to its potential application in spintronics. In this article, by using…
We propose a ferromagnetic Heusler alloy that can switch between a metal and a half-metal. Thiseffect can provide tunable spintronics properties. Using the density functional theory (DFT) withreliable implementations of the electron…
The electronic properties of many transition metal oxide systems require new ideas concerning the behaviour of electrons in solids for their explanation. A recent example, subsequent to that of cuprate superconductors, is of rare earth…
The structural, electronic, and dielectric (optical) properties of graphene-like 2D MgO monolayer have been explored through first-principles calculations under bi-axial tensile and compressive mechanical strain within a range of -10% to…