Related papers: Electronic structure and magnetism in disordered b…

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…

The structural, electrical transport and magnetic properties of perovskite oxides La1-xTexMnO3 have been investigated and thus the magnetic phase diagram of La1-xTexMnO3 compounds as a function of temperature and the doping level x has been…

Structural, electronic, and magnetic properties of undoped and aliovalent-ion (Ca, F)-doped LaOFeP, which undergo superconducting transitions at transition temperatures (Tc) 4-7 K [Kamihara et al, J. Am. Chem. Soc. 128, 10012, (2006)], were…

The electronic structure of the single molecule magnet system M[Fe(L)2]3*4CHCl3 (M=Fe,Cr; L=CH3N(CH2CH2O)2) has been studied using X-ray photoelectron spectroscopy, X-ray absorption spectroscopy, soft X-ray emission spectroscopy, and…

We expand our study on cubic BiFeO$_3$ alloys presented in [K. Koumpouras and I. Galanakis, \textit{J. Magn. Magn. Mater} 323, 2328 (2011)] to include also the BiMnO$_3$ and Bi$_2$MnFeO$_6$ alloys. For the latter we considered three…

We present a first principle study of new class of high-$T_c$ half-heusler ferromagnets NiCrZ (Z = Si, P, Ge, As, Te). The structure and magnetic properties are investigated through the calculation of the electronic structure, equilibrium…

We report on structural, magnetic and electronic properties of Co-implanted TiO2 rutile single crystals for different implantation doses. Strong ferromagnetism at room temperature and above is observed in TiO2 rutile plates after cobalt ion…

We have investigated the electronic structure of ordered and disordered Sr$_2$FeMoO$_6$ using {\it ab-initio} band structure methods. The effect of disorder was simulated within super-cell calculations to realize several configurations with…

The structure and static magnetic properties - saturation magnetization, perpendicular anisotropy, spectroscopic g-factor, and orbital magnetization - of thin-film 3d transition metal alloys are determined over the full range of alloy…

We report the variation of ferromagnetic order in the pseudo-ternary compounds URh_{1-x}Co_{x}Ge (0 \leq x \leq 1). Magnetization and transport data taken on polycrystalline samples show that the Curie temperature T_{C} gradually increases…

We present a comprehensive study of the magnetocaloric effect (MCE) in the Nd$T_4$B system where $T$ = Fe, Co, and Ni. These compounds are ferromagnetic kagome materials with tunable ordering temperatures, transition width, and magnetic…

Neutron and synchrotron resonant X-ray magnetic scattering (RXMS) complemented by heat capacity and resistivity measurements reveal the evolution of the magnetic structures of Fe and Ce sublattices in single crystal CeFeAsO. The RXMS of…

The crystal and magnetic structures of the orthorhombic e-Fe2O3 have been studied by simultaneous Rietveld refinement of X-ray and neutron powder diffraction data in combination with Mossbauer spectroscopy, as well as magnetisation and heat…

Correlation between geometry, electronic structure and magnetism of solids is both intriguing and elusive. This is particularly strongly manifested in small clusters, where a vast number of unusual structures appear. Here, we employ density…

LDA+DMFT method in the framework of the iterative perturbation theory (IPT) with full LDA Hamiltonian without mapping onto the effective Wannier orbitals. We then apply this LDA+DMFT method to ferromagnetic bcc-Fe and fcc-Ni as a test of…

Prospects for light-rare-earth-based permanent magnet compound R$_{2}$Fe$_{14}$B (R=La$_{1-x}$Ce$_{x}$ with $0 \le x\le 1$) are inspected from first principles referring to the latest experimental data. Ce-rich 2:14:1 compounds come with…

In order to investigate the phase stability of equiatomic FeN compounds and the structure-dependent magnetic properties, the electronic structure and total energy of FeN with NaCl, ZnS and CsCl structures and various magnetic configurations…

A first-principles approach to the construction of concentration-temperature magnetic phase diagrams of metallic alloys is presented. The method employs self-consistent total energy calculations based on the coherent potential approximation…

Orthorhombic GdFeO$_3$ has attracted considerable attention in recent years because its magnetic structure is similar to that in the well-known BiFeO$_3$ material. We investigate electronic structure, magnetism, and optical properties of…

The magnetic properties of ThCr_2Si_2-type single crystals ACo_2Se_2 (A = K, Rb and Cs) have been investigated by magnetic susceptibility and isothermal magnetization measurements at various temperatures. The ferromagnetic phase transition…