Related papers: First-principles study the structural, magnetic, o…

Unlike the ferropnictide superconductors, which crystallize in a tetragonal crystal structure, binary FeAs forms in an orthorhombic crystal structure, where the local atomic environment resembles a highly distorted variant of the FeAs4…

We investigated the magnetism and aggregation trends in cubic Zn1-xCrxS using the density-functional theory calculations.We demonstrate that all studied configurations show ground state half-metallic ferromagnetism (HMF); and Cr impurities…

We use bulk magnetic susceptibility, electronic specific heat, and neutron scattering to study structural and magnetic phase transitions in Fe$_{1+y}$Se% $_x$Te$_{1-x}$. Fe$_{1.068}$Te exhibits a first order phase transition near 67 K with…

We present neutron diffraction measurements on single crystal samples of non-superconducting Ba(Fe1-xCrx)2As2 as a function of Cr-doping for 0<=x<=0.47. The average SDW moment is independent of concentration for x<=0.2 and decreases rapidly…

The effect of chemical substitution on the ground state of the geometrically frustrated antiferromagnet CsCrF$_4$ has been investigated through a neutron powder diffraction experiment. Magnetic Fe-substituted CsCr$_{0.94}$Fe$_{0.06}$F$_{4}$…

We report on detailed structural, electronic and magnetic studies of GdMn$_{1-x}$Cr$_x$O$_3$ for Cr doping levels 0 $\le$ $x$ $\le$ 1. In the solid solutions, the Jahn-Teller distortion associated with Mn$^{3+}$ ions gives rise to major…

We present a theoretical and experimental study on electronic and magneto-optical properties of p-type paramagnetic InMnAs dilute magnetic semiconductor alloys and ferromagnetic p-type InMnAs/(Al,Ga)Sb thin films in ultrahigh (> 100 T)…

Control of magnetic states by external factors has garnered a mainstream status in spintronic research for designing low power consumption and fast-response information storage and processing devices. Previously, magnetic-cation…

We report the physical properties and electronic structure calculations of a layered chromium oxypnictide, Sr$_2$Cr$_3$As$_2$O$_2$, which crystallizes in a Sr$_2$Mn$_3$As$_2$O$_2$-type structure containing both CrO$_2$ planes and…

The alloying effect on the lattice parameters, isostructural mixing enthalpies and ductility of the ternary nitride systems Cr1-xTMxN (TM=Sc, Y; Ti, Zr, Hf; V, Nb, Ta; Mo, W) in the cubic B1 structure has been investigated using…

Using full-potential linear augmented plane wave method (FP-LAPW) and the density functional theory, we have carried out a systematic investigation of the electronic, magnetic, and cohesive properties of the chalcogenide CrTe in three…

The prototypical diluted magnetic semiconductor Cd1-xMnxTe is a spin glass (x<0.6) or an antiferromagnet (x>0.6), but becomes ferromagnetic upon doping with a small amount of Cr atoms substituting for Mn. In order to investigate the origin…

On the basis of ab-initio pseudopotential calculations, we study structural, magnetic, dynamical, and mechanical properties of the hypothetical CaC ionic compound in the rock-salt (RS), B2, zinc-blende (ZB), wurtzite (WZ), NiAs (NA),…

Structural and magnetic properties of the CoMn$_{0.88}$Cu$_{0.12}$Ge compound have been investigated using X-ray diffraction (XRD) and differential scanning calorimetry (DSC) accompanied with investigation of magnetic properties under…

The layered material Mn$_3$Si$_2$Te$_6$, with alternating stacking honeycomb and triangular layers, is attracting considerable attention due to its rich physical properties. Here, using density functional theory and classical Monte Carlo…

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…

In recent years, A-site ordered half-doped double-perovskite manganites $\rm RBaMn_2O_6$ (R=rare earth) have attracted much attention due to their remarkable physical properties and a prospect of application as magnetoresistance,…

A scheme to calculate the electronic structure of systems having a spiral magnetic structure is presented. The approach is based on the KKR (Korringa-Kohn-Rostoker) Green's function formalism which allows in combination with CPA (Coherent…

We have studied the electronic and magnetic structures of the ternary iron arsenides AFe$_2$As$_2$ (A = Ba, Ca, or Sr) using the first-principles density functional theory. The ground states of these compounds are in a collinear…

Three different CrNi2 complexes were synthesized. They differ from each other by the nature of the terminal ligand and of the counter anion : [Cr(CN)4[CN-Ni(tetren)]2]Cl, that crystallizes in two different crystallographic systems and…