相关论文: Structural, electronic and magnetic properties of …

We investigate a large variation in a diagonal component of the linear magnetoelectric (ME) susceptibility in a polar ferrimagnet Mn2Mo3O8 while changing the magnetic-ion site from orbital-quenched Mn2+ to Fe2+ with strong uniaxial…

Spinel ferrite Cu1-xZnxFe2O4 nanofibers over a compositional range 0 < x < 1 were prepared by electrospinning combined with sol-gel method. The influence of Zn2+ ions substitution on morphology, structure, and magnetic properties of copper…

The electronic structural properties in the presence of constrained magnetization and a charged background are studied for a monolayer of FeSe in non-magnetic, checkerboard-, and striped-antiferromagnetic (AFM) spin configurations. First…

The substitutional dependence of valence and spin-state configurations of Sr(Fe$_{1-x}$Co$_x$)$_2$As$_2$ ($x =$ 0, 0.05, 0.11, 0.17, and 0.38) is investigated with near-edge x-ray absorption fine structure at the $L_{2,3}$ edges of Fe, Co,…

The mechanisms underlying the enhancement of magnetic anisotropies (MAs) of Sm ions, owing to valence electrons at the Sm site and the screened nuclear charges of ligands, are clarified using a detailed analysis of crystal fields (CF). In…

We investigate the magnetic behavior of polycrystalline CeCr$_x$Fe$_{1-x}$O$_3$ (x = 0, 0.33, 0.67, and 1) synthesized via solid state reaction. Rare earth orthoferrite and orthochromite materials are well known for exhibiting spin…

The chemical selectivity and great sensitivity of the Extended X-ray Absorption Spectroscopy technique allowed the determination, in the paramagnetic phase, of the structural distortions induced by doping in the spin-Peierls CuGeO$_3$…

The magnetic properties of Mn, Co and Ni substituted Fe4N are calculated from first principles theory. It is found that the generalized gradient approximation reproduces with good accuracy the magnetic moment and equilibrium volume for the…

Electronic structure calculations are used to analyze the electronic and magnetic properties in {K$_{2}$Fe$_{4+x}$Se$_{5}$}. Fe atoms can be divided into two distinct groups. The $x{=}0$ (parent) compound forms an insulating, collinear,…

This paper reports the effect of Fe doping on the structure and room temperature ferromagnetism of CeO2 nanoparticles. X-ray diffraction and selective area electron diffraction measurement reflects that Ce1-xFexO2 (x = 0.0 - 0.07)…

Recent experiments on Mn doped multiferroic $CoCr_{2}O_{4}$ indicate that a possible distribution of Mn atoms among tetrahedrally and octahedrally coordinated sites in the spinel lattice give rise to different variations in the structural…

We apply the self-interaction corrected local spin density %(SIC-LSD) approximation to study the electronic structure and magnetic properties of the spinel ferrites MnFe$_{2}$O$_{4}$, Fe$_{3}$O$_{4}$, CoFe$_{2}$O$_{4}$, 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…

The electronic structure and intrinsic magnetic properties of $\text{Fe}_2\text{AlB}_2$-related compounds and their alloys have been investigated using density functional theory. For $\text{Fe}_2\text{AlB}_2$, the crystallographic $a$ axis…

A combined experimental and theoretical study of doping individual Fe atoms into Bi2Se3 is presented. It is shown through a scanning tunneling microscopy study that single Fe atoms initially located at hollow sites on top of the surface…

The electronic structure and magnetic properties of pure and doped {Fe$_{16}$N$_2$} systems have been studied in the local-density (LDA) and quasiparticle self-consistent {\emph{GW}} approximations. The {\emph{GW}} magnetic moment of pure…

$Na_xCoO_2$ has a fascinating and complex magnetic phase diagram that can be further manipulated by doping. Here, we investigated the effect of electron doping on the magnetic coupling among $Co^{4+}$ ions in $Na_xCoO_2$ using density…

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$_{4}$…

Using first principles calculations, we analyze structural and magnetic trends as a function of charge doping and pressure in BaFe$_2$As$_2$, and compare to experimentally established facts. We find that density functional theory, while…

Here we study the structural and magnetic properties of the CoFeSr2YCu2O7 compound with x = 0.0 to 1.0. X-ray diffraction patterns and simulated data obtained from Rietveld refinement of the same indicate that the iron ion replacement in…