Related papers: Stable half-metallic ferromagnetism in nonstoichio…
Two-dimensional (2D) layered magnetic materials are generating a great amount of interest for the next generation of electronic devices thanks to their remarkable properties associated to spin dynamics. The recently discovered layered…
Magnetic skyrmions are topological spin structures having immense potential for energy efficient spintronic devices. However, observations of skyrmions at room temperature are limited to patterned nanostructures. Here, we report the…
Magnetic skyrmions are intriguing topological spin textures that have attracted great attention due to their potential for future spintronic devices. Skyrmions have so far been explored in different magnetic materials, such as ferromagnets,…
We have performed density functional calculations of the electronic structure and lattice dynamics of the binary skutterudite FeSb$_{3}$. We find that the ground state of FeSb$_{3}$ is a near semi-metallic ferromagnet with $T_{c}=175$~K.…
The coexistence of a homogeneous (Meissner-like) phase of spin-triplet superconductivity and ferromagnetism is investigated within the framework of a phenomenological model of spin-triplet ferromagnetic superconductors. The results are…
The crystal structure of the iron oxide gamma-Fe2O3 is usually reported in either the cubic system (space group P4332) with partial Fe vacancy disorder or in the tetragonal system (space group P41212) with full site ordering and c/a\approx…
The $\beta$ and $\gamma$ phases of methylammonium chloride CH$_3$NH$_3$Cl and methylammonium bromide CH$_3$NH$_3$Br are identified to be ferroelectric $via$ pyroelectric current and dielectric constant measurements. The magnetic…
We conduct a comprehensive study of three different magnetic semiconductors, CrI$_3$, CrBr$_3$, and CrCl$_3$, by incorporating both few- and bi-layer samples in van der Waals tunnel junctions. We find that the interlayer magnetic ordering,…
We report on magnetic and electrical transport properties of Sb2-xCrxTe3 single crystals with 0 <= x <= 0.095 over temperatures from 2 K to 300 K. A ferromagnetic state develops in these crystals at low temperatures with Curie temperatures…
We investigate the electronic and magnetic structures of two-dimensional transition metal tri-chalcogenide CrSiTe$_{3}$ and CrGeTe$_{3}$ materials by carrying out first-principles calculations. The single-layer CrSiTe$_3$ and CrGeTe$_3$ are…
An insulating ferromagnetic (FM) phase exists in the quasi-one-dimensional iron chalcogenide Ce$_2$O$_2$FeSe$_2$ but its origin is unknown. To understand the FM mechanism, here a systematic investigation of this material is provided,…
DFT calculations of the electronic structure of graphane and stoichiometrically halogenated graphene derivatives (fluorographene and other analogous graphene halides) show (i) localized orbital basis sets can be successfully and effectively…
We report the first principles study of structural, elastic, electronic, optical and thermoelectric properties of newly synthesized K2Cu2GeS4. The structural parameters are found to be in good agreement with experimental results. The single…
Cementite-type carbides are of interest for magnetocaloric applications owing to their temperature- or pressure-induced magnetic phase transition. Here, using first-principles calculations, we investigate the magnetism and the magnetic…
Using first-principles density functional calculations, we study the possible phases of CeMnNi$_{4}$ and show that the ground state is ferromagnetic. We observed the hexagonal phase to be lowest in energy whereas experimentally observed…
The tetragonal phase of chromium (III) oxide, although unstable in the bulk, can be synthesized in epitaxial heterostructures. The theoretical investigation by density functional theory predicts an antiferromagnetic ground state for this…
We report a combined theoretical and experimental investigation of half-metallic ferromagnetism in equiatomic quaternary Heusler alloy CoRuMnSi. Room temperature XRD analysis reveals that the alloy crystallizes in L21 disorder instead of…
We report first-principles calculations of zinc-blende half-metals, identifying systems for epitaxial growth with semiconductors, and present calculations for CrAs/GaAs multilayers. We find that half-metallicity is conserved troughout the…
Our searches for new oxide chalcogenides of rare earths and Fe, Co, Ni, and Zn resulted in preparation of two new compounds Ce2Fe2O3S2 and Pr2Fe2O3S2 which are isostructural to La2Fe2O3Se2 and Sm2Ti2O3Sb2. Crystal structures of the new…
The central target of spintronics research is to achieve flexible control of highly efficient and spin-polarized electronic currents. Based on first-principles calculations and k-p models, we demonstrate that Cu2S/MnSe heterostructures are…