Related papers: Physical properties of the tetragonal CuMnAs: a fi…
Geometrically frustrated magnetic semiconductor $\textrm{CuMnO}_{2}$ has potential applications as photo-catalyst, in photochemical cells and multi-ferroic devices. Electronic band structure in the antiferromagnetic and ferromagnetic phases…
In this paper we analyze the structure, phase transitions and some transport properties of the vortex system when the external magnetic field lies parallel to the planes in layered superconductors. We show that experimental results for…
In this research, we examine the electronic, magnetic, and lattice properties of the Fe$_4$(P$_2$O$_7$)$_3$ compound using the first principles calculations based on the density functional theory. The crystal lattice has a monoclinic…
Superlattices built from two antiferromagnetic (AFM) charge/orbital order compounds, $Pr_{0.5}Ca_{0.5}MnO_3$ and $La_{0.5}Ca_{0.5}MnO_3$, have been studied as the thickness of $La_{0.5}Ca_{0.5}MnO_3$ ($LCMO$) varied. High structural quality…
We report the single-crystal growth and characterization of a new hexagonal phase, Cu$_{0.82}$Mn$_{1.18}$As, in the Cu-Mn-As system. This compound contains the same square-pyramidal MnAs$_5$ units as the tetragonal and orthorhombic…
Taking the pseudobinary C15-Laves phase compound Ce(Fe$_{0.96}$Al$_{0.04}$)$_2$ as a paradigm for studying a ferromagnetic(FM) to antiferromagnetic(AFM) phase transition, we present interesting thermomagnetic history effects in…
We report on a theoretical and experimental study of CuMn-V antiferromagnets. Previous works showed low-temperature antiferomagnetism and semimetal electronic structure of the semi-Heusler CuMnSb. In this paper we present theoretical…
We present a combined experimental and computational method which enables the precise determination of the atomic positions in a thin film using CuK{\alpha} radiation, only. The capabilities of this technique surpass simple structure…
We study the onset of spin-density wave order in itinerant electron systems via a two-dimensional lattice model amenable to numerically exact, sign-problem-free determinantal quantum Monte Carlo simulations. The finite-temperature phase…
First-principles alloy theory, formulated within the exact muffin-tin orbitals method in combination with the coherent-potential approximation, is used to study the mechanical properties of ferromagnetic body-centered cubic (bcc)…
First-principles molecular dynamics simulation based on a plane wave/pseudopotential implementation of density functional theory is adopted to investigate atomic scale energy transport for semiconductors (silicon and germanium). By imposing…
Functionally graded materials (FGM) eliminate the stress singularity in the interface between two different materials and therefore have a wide range of applications in high temperature environments such as engines, nuclear reactors,…
The coupling between the electrical transport properties of La2/3Sr1/3MnO3 (LSMO) thin films and structural phase transitions of SrTiO3 (STO) substrates at Ts = 105 K has been investigated. We found that the electrical resistivity of LSMO…
The single-crystal growth, stoichiometry, and structure of Rb1-xFe2-ySe2-zSz crystals with substitution of Se by S are reported. The variation of the magnetic and thermodynamic parameters of samples was studied by differential-scanning…
The fascinating electronic properties of the family of layered organic molecular crystals kappa-(BEDT-TTF)2X where X is an anion (e.g., X=I3, Cu[N(CN)2]Br, Cu(SCN)2) are reviewed. These materials are particularly interesting because of…
We study the finite temperature properties of two-component fermionic atoms trapped in a two-dimensional optical lattice. We apply the self-energy functional approach to the two-dimensional Hubbard model with a harmonic trapping potential,…
We investigate equilibrium and transport properties of a copper phthalocyanine (CuPc) molecule adsorbed on Au(111) and Ag(111) surfaces. The CuPc molecule has essentially three localized orbitals close to the Fermi energy resulting in…
We have grown the ferromagnetic semiconductor GaMnAs containing up to 10% Mn by migration enhanced epitaxy at a substrate temperature of 150^oC. The alternate supply of As2 molecules and Ga and Mn atoms made it possible to grow single…
LaMn$_7$O$_{12}$, a quadruple perovskite oxide (AA'$_3$B$_4$O$_{12}$-type), has attracted attention for its notable bifunctional activity in oxygen evolution and reduction reactions. Here, we systematically investigate the magnetic phase…
Material structures containing tetrahedral FeAs bonds, depending on their density and geometrical distribution, can host several competing quantum ground states ranging from superconductivity to ferromagnetism. Here we examine structures of…