相关论文: Magnetism and Electronic Structure in ZnFe$_2$O$_4…
We apply the self-interaction corrected local spin density %(SIC-LSD) approximation to study the electronic structure and magnetic properties of the spinel ferrites MnFe$_{2}$O$_{4}$, Fe$_{3}$O$_{4}$, CoFe$_{2}$O$_{4}$, and…
The electronic properties of two spinels Fe$_3$O$_4$ and Fe$_2$SiO$_4$ are studied by the density functional theory. The local Coulomb repulsion $U$ and the Hund's exchange $J$ between the $3d$ electrons on iron are included. For $U=0$,…
In this paper we show that spinel ferrite nanocrystals (NiFe2O4, and CoFe2O4) can be texturally embedded inside a ZnO matrix by ion implantation and post-annealing. The two kinds of ferrites show different magnetic properties, e.g.…
The structural and magnetic properties of ZnFe2O4 nanoparticles embedded in a non-magnetic ZnO matrix are presented. X-ray diffractograms and Transmission Electron Microscopy (TEM) images showed that the resulting samples are composed of…
We assess the potential of the ferrimagnetic spinel ferrites CoFe2O4 and NiFe2O4 to act as spin filtering barriers in magnetic tunnel junctions. Our study is based on the electronic structure calculated by means of first-principles density…
Spinel ferrites in general show a rich interplay of structural, electronic, and magnetic properties. Here, we particularly focus on zinc ferrite (ZFO), which has been observed experimentally to crystallise in the cubic $normal$ spinel…
Fe$M_2X_4$ spinels, where $M$ is a transition metal and $X$ is oxygen or sulfur, are candidate materials for spin filters, one of the key devices in spintronics. We present here a computational study of the inversion thermodynamics and the…
The structural and magnetic properties of spinel compounds $CoB_2O_4$ (B=Cr,Mn and Fe) are studied using the DFT+U method and generalized gradient approximation (GGA). We concentrate on understanding the trends in the properties of these…
We report first-principles calculations of the electronic structure, magnon excitations, and phonons in magnetite (Fe$_3$O$_4$), jacobsite (MnFe$_2$O$_4$), and mixed manganese-zinc ferrites (Mn$_{x}$,Zn$_{1-x}$)Fe$_2$O$_4$ for…
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…
Mn$_3$O$_4$ is a spin frustrated magnet that adopts a tetragonally distorted spinel structure at ambient conditions and a CaMn$_2$O$_4$-type postspinel structure at high pressure. We conducted both optical measurements and \emph{ab}…
Manganese ferrite (MnFe2O4) and copper doped manganese ferrite (Mn0.75Cu0.25Fe2O4) soft materials were synthesized through solid-state sintering method. The phase purity and quality were confirmed from x-ray diffraction patterns. Then the…
Alloying effects by T=Mn,Co,Ni-substitution on FeS$_2$ have been investigated using density-functional calculations. The ferromagnetic alloys Fe$_{1-x}$T$_x$S$_2$ have been investigated for concentrations…
In the light of recent interesting experimental work on MgV$_2$O$_4$ we employ the density functional theory to investigate the crucial role played by different interaction parameters in deciding its electronic and magnetic properties. The…
We present a systematic study of the magnetic properties of L1$_0$ binary alloys FeNi, CoNi, MnAl and MnGa via two different density functional theory approaches. Our calculations show large magnetocrystalline anisotropies in the order…
The olivine compound Mn2GeO4 is shown to feature both a ferroelectric polarization and a ferromagnetic magnetization that are directly coupled and point along the same direction. We show that a spin spiral generates ferroelectricity (FE),…
First-principles calculations are performed to study the electronic structures and topological phases of magnetic layered materials MnBi2Te4, MnBi2Se4 and MnSb2Te4 under different film thicknesses, strains and spin-orbit coupling (SOC)…
Different configurations of magnetic orders and cation distributions for NiFe2O4 are studied by the density functional based methods with the possible inclusion of the on-site Coulomb interaction U. The lowest energy state is an inverse…
We investigate the sensitive interplay between magnetic, electronic and structural properties in the ferrimagnetic oxide NiFe2O4. Emphasis is placed on the impact of reduced dimensionality in the crossover from bulk-like to ultrathin films.…
The effects of Ni$^{2+}$ substitution on the structure (lattice parameters, cations distribution, average cations radii, cation-cation/anion bond lengths and angles) and the soft magnetic properties of Mg$_{1-x}$Ni$_x$Fe$_2$O$_4$ ($0 \le x…