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Single crystals of SrMn2P2 and CaMn2P2 were grown using Sn flux and characterized by single-crystal x-ray diffraction, electrical resistivity rho, heat capacity Cp, and magnetic susceptibility chi = M/H measurements versus temperature T and…

Ternary semiconductor CuYS2 is studied by using the first-principles methods in the density functional theory (DFT) framework. The structural, electronic, optical and elastic properties were calculated at the ambient and elevated…

The layer dependent structural, electronic and vibrational properties of SnS2 and SnSe2 are investigated using first-principles density functional theory (DFT). The in-plane lattice constants, interlayer distances and binding energies are…

We have carried out density-functional theory (DFT) calculations to study the magnetic stability of both ferromagnetic (FM) and anti-ferromagnetic (AFM) states in monolayer 1T-CrTe2. Our results show that the AFM order is lower in energy…

Two-dimensional (2D) magnetic materials have predominantly exhibited easy-axis or easy-plane anisotropy and display a high sensitivity to the underlying crystal structure and lattice symmetry. Recently, an in-plane anisotropic 2D…

Multilayers of Co90Fe10/Pd with different bilayer thicknesses, have been deposited by dc-magnetron sputtering on thermally oxidized Si wafers. Transmission electron microscopy showed that the highly textured crystalline films had columnar…

In this work, density functional computations and Monte Carlo simulations are performed to investigate structural, electronic, magnetic, and thermodynamic properties of Co/WS$_2$ junction, a semiconductor WS$_2$ monolayer covered by a…

Eu-based Zintl-phase materials EuA$_2$Pn$_2$ (A = Mg, In, Cd, Zn; Pn = Bi, Sb, As, P) have generated significant recent interest owing to the complex interplay of magnetism and band topology. Here, we investigated the electronic, magnetic,…

The electronic and magnetic properties of Sr$_2$CoO$_4$ compound have been studied using $\emph{ab initio}$ electronic structure calculations. As opposed to GGA calculation, which gives ferromagnetic metallic solution, GGA+$U$ calculations…

The electronic, magnetic, and topological properties of CoBr2 monolayer are studied in the frame-work of the density-functional theory (DFT) combined with tight-binding (TB) modeling in terms of Wannier basis. Our DFT investigation and…

Magnetic tunnel junctions with a magnetic layer with perpendicular anisotropy are currently used in computer memories that do not require voltage sustaining. An example of layers with perpendicular magnetic anisotropy are ultrathin FeCo…

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…

KCoO2 has been found in 1975 to exist in a unique structure with P4/nmm spacegroup with Co in a square pyramidal coordination with the Co atoms in the plane linked by O in a square arrangement reminiscent of the cuprates but its electronic…

Heusler alloy Co2FeAl was employed as ferromagnetic layers in Co2FeAl/Ru/Co2FeAl synthetic antiferromagnet structures. The experimental results show that the structure with a Ru thickness of 0.45 nm takes on strongly antiferromagnetic…

Fe-Co alloys with induced tetragonal strain are promising materials for rare-earth-free permanent magnets. However, as ultrathin-film studies have shown, tetragonal Fe-Co structures tend to a rapid relaxation toward a cubic structure as the…

We use angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) calculations to study the electronic structure of CaFe$_2$As$_2$ in previously unexplored collapsed tetragonal (CT) phase. This unusual phase of…

Y$_2$Co$_3$ is a newly discovered antiferromagnetic (AFM) compound with distorted kagome layers. Previous investigations via bulk magnetization measurements suggested a complex noncollinear magnetic behavior, with magnetic moments primarily…

The structural and magnetic anomaly of the layered compound SrFeO$_{2}$ were examined by first principles density functional calculations and Monte Carlo simulations. The down-spin Fe 3$d$ electron occupies the $d_{z^2}$ level rather than…

Single crystals of the single Kagome layer compound FeSn are investigated using x-ray and neutron scattering, magnetic susceptibility and magnetization, heat capacity, resistivity, Hall, Seebeck, thermal expansion, thermal conductivity…

The magnetic structure of CsCo2Se2 was investigated using single-crystal neutron diffraction technique. An antiferromagnetic transition with the propagation vector (0,0,1) was observed at T_N = 78 K. The Co magnetic moment 0.772(6) {\mu}_B…