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Using first-principle density functional theory calculations combined with insight from a tight-binding representation, dynamical mean field theory, and linear response theory, we have extensively investigated the electronic structures and…
Structures and magnetic properties of Fe16-xCoxN2 are studied using adaptive genetic algorithm and first-principles calculations. We show that substituting Fe by Co in Fe16N2 with Co/Fe ratio smaller than 1 can greatly improve the magnetic…
Epitaxial growth of Co20Fe50Ge30 thin film on single crystal MgO (001) substrate is reported. Structure characterization revealed (001)-oriented B2 order of CoFeGe well lattice matched with the MgO barrier. Perpendicular magnetic anisotropy…
We predict that the anti-ferromagnetic (AFM) magnetic structure of delafossite PdCrO$_2$ has a staggered chirality with the double-layer periodicity along the $z$-axis with intriguing magnetic anisotropy. We study the electronic and…
We report observation of strong magnetic proximity coupling in a heterostructured superconductor Sr$_2$VO$_3$FeAs, determined by the upper critical fields $H_{c2}(T)$ measurements up to 65 T. Using the resistivity and the radio-frequency…
The nature of low-impurity ferromagnetism remains a challenging problem in the solid-state community due to the strong dependence of magnetic properties on composition, concentration, and structural geometry of diluted alloys. To address…
The magnetic ground state of nanosized systems such as Fe double chains, recently shown to form in the early stages of Fe deposition on Ir(100), is generally nontrivial. Using ab initio density functional theory we find that the straight…
Two-dimensional materials and their heterostructures have opened up new possibilities for magnetism at the nanoscale. In this study, we utilize first-principles simulations to investigate the structural, electronic, and magnetic properties…
We report on the magnetization depth profile of a hybrid exchange spring system in which a Co/Pd multilayer with perpendicular anisotropy is coupled to a CoFeB thin film with in-plane anisotropy. The competition between these two orthogonal…
Co /CoO/Co polycrystalline film was grown on Si (001) substrate and magnetic properties have been investigated using in-situ magneto-optic Kerr effect during growth of the sample. Magnetic anisotropy with easy axis perpendicular to the film…
Search for ultrathin magnetic film with large perpendicular magnetocrystalline anisotropy (PMA) has been inspired for years by the continuous miniaturization of magnetic units in spintronics devices. The common magnetic materials used in…
The magnetic tetrapyrrole molecules (such as porphyrins and phthalocyanines) with an active transition metal atom in their centre are currently intensively studied as prosperous potential elements of devices for high-density information…
Doped Heusler compounds Co$_2$Cr$_{1-x}$Fe$_{x}$Al with varying Cr to Fe ratio $x$ were investigated experimentally and theoretically. The electronic structure of the ordered, doped Heusler compound Co$_2$Cr$_{1-x}$Fe$_{x}$Al ($x=n/4,…
Enhancement of magnetism of Fe that occurs by alloying with Cr or V is discussed on the basis of first-principles electronic structure calculation. The d states of Fe next to Cr(V) are pushed down to the lower energy side compared to those…
We show that the magnetic characteristics of Ta|CoFeB|MgO magnetic heterostructures are strongly influenced by doping the Ta underlayer with nitrogen. In particular, the saturation magnetization drops upon doping the Ta underlayer,…
We investigated the anisotropic magnetic properties of CePd$_2$As$_2$ by magnetic, thermal and electrical transport studies. X-ray diffraction confirmed the tetragonal ThCr$_2$Si$_2$-type structure and the high-quality of the single…
Engineering magnetic anisotropy in a ferro- or ferrimagnetic (FM) thin film is crucial in spintronic device. One way to modify the magnetic anisotropy is through the surface of the FM thin film. Here, we report the emergence of a…
We present a detailed theoretical investigation on the magnetic properties of small single-layered Fe, Co and Ni clusters deposited on Ir(111), Pt(111) and Au(111). For this a fully relativistic {\em ab-initio} scheme based on density…
We study relaxation behaviour in the two-dimensional assembly of magnetic nanoparticles (MNPs) with aligned anisotropy axes and positional defects. The anisotropy axes orientation and disorder strength is changed by varying $\alpha$ and…
The current family of experimentally realized two-dimensional magnetic materials consist of 3$d$ transition metals with very weak spin-orbit coupling. In contrast, we report a new platform in a chemically bonded and layered 4$d$ oxide, with…