Related papers: MgN: a new promising material for spintronic appli…
Magnetocrystalline anisotropy in transition metal alloys (FePt, CoPt, FePd, MnAl, MnGa, and FeCo) was studied using first-principles calculations to elucidate its specific mechanism. The tight-binding linear muffin-tin orbital method in the…
We investigate the effect of Mn substitution in Fe$_2$Ti$_{1-x}$Mn$_x$Sn on electronic structure and magnetic and electrical transport properties. The spin-polarized density of states calculations using density-functional theory (DFT)…
Motivated by recent experimental work, we consider spin transport between a normal metal and a gapped quantum paramagnet. We model the latter as the magnonic Mott-insulating phase of an easy-plane ferromagnetic insulator. We evaluate the…
The discovery of two-dimensional (2D) magnets has opened up new possibilities for miniaturizing spintronic devices to the monolayer limit. 2D half-metals, capable of conducting fully spin-polarized currents when spin-orbit coupling is…
MgO is an abundant mineral in the rocky mantle of terrestrial planets, but its melting behaviors remain enigmatic. Here we introduce a simple theoretical model to investigate the B1-liquid transition of MgO up to 370 GPa. Vibrational free…
The efficient coupling between lattice degrees of freedom and spin degrees of freedom in magnetic materials can be used for refrigeration and energy conversion. This coupling is enhanced in materials exhibiting the giant magnetocaloric…
Two channels of the sd exchange interaction are considered in magnetic junctions. The first channel describes the interaction of transversal spins with the lattice magnetization. The second one describes the interaction of longitudinal…
We study lanthanum mononitride LaN by first-principles calculations. The commonly reported rock-salt structure of $Fm\bar{3}m$ symmetry for rare-earth monopnictides is found dynamically unstable for LaN at zero temperature. Using density…
We present density-functional-theory calculations which provide a microscopic picture of the recombination-enhanced migration of interstitial Mg in GaN. We determine stable structures and migration pathways with accurate HSE approximation…
A magnetic tunnel junction Fe3O4/MgO/Fe with (001) layer orientation is considered. The junction magnetic energy is analyzed as a function of the angle between the layer magnetization vectors under various magnetic fields. The tunnel…
We present structure calculations of neutral and singly ionized Mg clusters of up to 30 atoms, as well as Na clusters of up to 10 atoms. The calculations have been performed using density functional theory (DFT) within the local…
Epitaxial Fe/magnesium gallium spinel oxide (MgGa2O4)/Fe(001) magnetic tunnel junctions (MTJs) were fabricated by magnetron sputtering. Tunnel magnetoresistance (TMR) ratio up to 121% at room temperature (196% at 4 K) was observed,…
Bulk solid state synthesis of nitride materials usually leads to thermodynamically stable, cation-ordered crystal structures, whereas thin film synthesis tends to favor disordered, metastable phases. This dichotomy is inconvenient both for…
It is shown that substitution of C or N for O recently proposed as a way to create ferromagnetism in otherwise nonmagnetic oxide insulators is curtailed by formation of impurity pairs, and the resultant C2 spin=1 dimers as well as the…
Tin monoxide (SnO) is a p-type oxide semiconductor whose electronic properties can be widely modified via atomic-scale engineering. Using density functional theory, we investigate the electronic and magnetic properties of transition-metal…
Low-temperature resistivity of half-metals is investigated. To date it has been discussed that the one-magnon scattering process in half-metals is irrelevant for low-temperature resistivity, due to the fully spin-polarized electronic…
A mixture of Mg and MgO has been subjected to a shock-wave pressure of 170 kbar. The ac susceptibility measurements of the product has revealed a metastable superconductivity with Tc=30 K, characterized by glassy dynamics of the shielding…
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…
The strong spin-orbit interaction in the rare-earth elements ensures that even within a ferromagnetic state there is a substantial orbital contribution to the ferromagnetic moment, in contrast to more familiar transition metal systems,…
For the first time, this study shows that distortion in a crystal structure due to magnetic effect is possible in a lattice with extreme chemical disorder. The multicomponent equimolar transition metal oxide (ME TMO), (Co,Cu,Mg,Ni,Zn)O,…