Related papers: Spin Density Functional Based Search for Half-Meta…
The double perovskite material \SFMO has the rare and desirable combination of a half-metallic ground state with 100% spin polarization and ferrimagnetic \Tc$\simeq 420$K, well above room temperature. In this two-part paper, we present a…
The first-principles full-potential linearized augmented plane-wave method based on density functional theory is used to investigate electronic structure and magnetic properties of hypothetical binary compounds of I$^{A}$ subgroup elements…
The Mn-terminated (001) surface of the stable anti-ferromagnetic insulating phase of cubic perovskite CaMnO$_3$ is found to undergo a magnetic reconstruction consisting on a spin-flip process at surface: each Mn spin at the surface flips to…
Hybrid or metal organic framework (MOF) perovskites of general composition, ABX$_3$, are known to show interesting properties which can lead to variety of technological applications. Our first principles study shows they are also potential…
We report the magnetic, magnetocaloric, and magnetotransport properties of the semi-Heusler alloy Cu0.85Ni0.15MnSb, which exhibits coexistence of antiferromagnetic (AFM) and ferromagnetic (FM) phases. A broad magnetic phase transition is…
By means of systematic first-principles calculations based on density functional theory we search for suitable materials that can host antiferromagnetically coupled skyrmions. We concentrate on fcc-stacked (111)-oriented metallic $Z$/Co/Pt…
We report muon spin rotation measurements of the local magnetic susceptibility around a positive muon in the paramagnetic state of the quasi one-dimensional spin 1/2 antiferromagnet KCuF$_3$. Signals from two distinct sites are resolved…
The density of non-quasiparticle states in the ferrimagnetic full-Heuslers Mn$_2$VAl alloy is calculated from first principles upon appropriate inclusion of correlations. In contrast to most half-metallic compounds, this material displays…
The magnetic properties and transition from an antiferromagnetic (AFM) to a ferromagnetic (FM) state in semi Heusler alloys Cu1-xNixMnSb, with x < 0.3 have been investigated in details by dc magnetization, neutron diffraction, and neutron…
The interplay among quantum degrees of freedom-spin, orbital and momentum-has emerged as a fertile ground for realizing magnetic quantum states with transformative potential for electronic and spintronic technologies. Prominent examples…
The double perovskite Ba$_{2}$NaOsO$_{6}$ (BNOO), an exotic example of a very high oxidation state (heptavalent) osmium $d^1$ compound and also uncommon by being a ferromagnetic Mott insulator without Jahn-Teller (JT) distortion, is modeled…
The interface between a ferromagnet (FM) or antiferromagnet (AFM) and a heavy metal (HM) results in an antisymmetric exchange interaction known as the interfacial Dzyaloshinskii-Moriya interaction (iDMI) which favors non-collinear spin…
Spin-based electronics or spintronics is an emerging field, in which we try to utilize spin degrees of freedom as well as charge transport in materials and devices. While metal-based spin-devices, such as magnetic-field sensors and…
Neutron diffraction and magnetic susceptibility studies show that orthorhombic single-crystals of topological semimetals ${\rm Sr(Mn_{0.9}Cu_{0.1})Sb_2}$ and ${\rm Sr(Mn_{0.9}Zn_{0.1})Sb_2}$ undergo three dimensional C-type…
The magnetic susceptibility, crystal and magnetic structures, and electronic structure of double perovskite Sr2ScOsO6 are reported. Using both neutron and x-ray powder diffraction we find that the crystal structure is monoclinic P21/n from…
All-electric-controlled nonvolatile spin field-effect transistors (SFETs) based on two-dimensional (2D) multiferroic van der Waals (vdW) heterostructures hold great promise for advanced spintronics applications. However, their performance…
We have investigated electronic structures of antiperovskite GaCMn$_3$ and related Mn compounds SnCMn$_3$, ZnCMn$_3$, and ZnNMn$_3$. In the paramagnetic state of GaCMn$_3$, the Fermi surface nesting feature along the $\Gamma{\rm R}$…
Single phase polycrystalline sample of perovskite Sr2TiMnO6 (STMO) has been successfully synthesized via solid state reaction route. Its detailed structural and physical properties have been studied using x-ray diffraction, transmission…
We present a study of the electronic structure and magnetism of Co$_2$MnAl, CoMnVAl and their heterostructure. We employ a combination of density-functional theory and dynamical mean-field theory (DFT+DMFT). We find that Co$_2$MnAl is a…
The magnetic structure of antiferromagnetically ordered phases of quasi-one-dimensional organic conductors is studied theoretically at absolute zero based on the mean field approximation to the quarter-filled band with on-site and…