Related papers: Ferrimagnetism in the double perovskite Ca2FeOsO6:…
The double-perovskite A$_2$BB'O$_6$ with heavy transition metal ions on the ordered B' sites is an important family of compounds to study the interplay between electron correlation and spin-orbit coupling (SOC). Here we prepared…
The spin ordering and spin-charge coupling in LuFe2O4 were investigated on the basis of density functional calculations and Monte Carlo simulations. The 2:1 ferrimagnetism arises from the strong antiferromagnetic intra-sheet Fe3+-Fe3+ and…
Using density-functional theory calculations, we investigated the electronic structure and magnetic exchange interactions of the ordered 3d-5d double perovskite Sr2FeOsO6, which has recently drawn attention for interesting antiferromagnetic…
Magnetic properties of an antiferromagnetic double perovskite oxide Ba2CaReO6, where Re6+ (5d1) ions with large spin-orbit coupling are arranged on the face-centered-cubic lattice, are investigated using pulsed high magnetic field up to 66…
Sr$_{2}$NiIrO$_{6}$ would be a ferromagnetic (FM) insulator in terms of the common superexchange mechanism between the first nearest neighboring (1NN) magnetic ions Ni$^{2+}$ ($t_{2g}^{6}e_{g}^{2}$) and Ir$^{6+}$ ($t_{2g}^{3}$). However,…
We present an interacting model for the electronic and magnetic behavior of a strained $(001)$ atomic layer of Sr$_2$FeMoO$_6,$ which shows room-temperature ferrimagnetism and magnetoresistance with potential spintronics application in the…
In $4d/5d$ transition-metal systems, many interesting physical properties arise from the interplay of bandwidth, electronic correlations, and spin-orbit interactions. Here, using {\it ab initio} density functional theory, we systematically…
Rare earth based cobalt-ruthenium double perovskites A$_2$CoRuO$_6$ (A = La, Pr, Nd and Sm) were synthesized and investigated for their structural and magnetic properties. All the compounds crystallize in the monoclinic $P2_1/n$ structure…
At ambient pressure, bulk SrCoO$_{3}$ is a ferromagnetic (FM) metal in cubic perovskite structure. By contrast, magnetic properties of epitaxial SrCoO$_{3}$ thin films, especially at high tensile strain ($\varepsilon \gtrsim 3$\%), remain…
The spin states and electronic structure of layered perovskite La1.5Ca0.5CoO4 are investigated using fullpotential linearized augmented plane-wave method. All the computational results indicate that the Co2+ ion is in a high-spin state and…
Using density functional theory plus Hubbard $U$ calculations, we show that the ground state of (Mg,Fe)(Si,Fe)O$_3$ perovskite, a major mineral phase in the Earth's lower mantle, has high-spin ferric iron ($S=5/2$) at both the dodecahedral…
Magnetic dc susceptibility ($\chi$) and electron spin resonance (ESR) measurements in the paramagnetic regime, are presented. We found a Curie-Weiss (CW) behavior for $\chi$(T) with a ferromagnetic $\Theta = 446(5)$ K and $\mu_{eff} =…
BaRuO3 having five different crystal structures has been synthesized by varying the pressure while sintering. Contrary to the other phases being nonmagnetic, the cubic perovskite phase synthesized recently shows an itinerant ferromagnetic…
Here we present a detailed investigation of the Co and Ir local electronic structures in La1.5A0.5CoIrO6 (A = Ba, Ca) compounds in order to unravel the orbital hybridization mechanism in these CoIr-based double perovskites. Our results of…
We report magnetic properties of a 3d$^9$ (Cu$^{2+}$) magnetic insulator Cu2OSO4 measured on both powder and single crystal. The magnetic atoms of this compound form layers, whose geometry can be described either as a system of chains…
We present the self-interaction corrected local spin density (SIC-LSD) electronic structure and total energy calculations, leading also to valencies of the ground state configurations, for the half-metallic double perovskites such as…
Here, we report on the structural, electronic, and magnetic properties of a polycrystalline sample of the LaCaCoIrO$_6$ double-perovskite investigated by means of synchrotron x-ray powder diffraction, x-ray absorption spectroscopy, and…
We report the systematic synthesis, crystal structure, magnetization, and powder neutron diffraction of single crystalline and polycrystalline CaCo$_2$TeO$_6$ samples. CaCo$_2$TeO$_6$ crystallizes in an orthorhombic structure with $Pnma$…
The oxygen-deficient (double) perovskite YBaMn$_2$O$_5$, containing corner-linked MnO$_5$ square pyramids, is found to exhibit ferrimagnetic ordering in its ground state. In the present work we report generalized-gradient-corrected,…
The role of the synthesis conditions on the cationic Fe/Mo ordering in Sr2FeMoO6 double perovskite is addressed. It is shown that this ordering can be controlled and varied systematically. The Fe/Mo ordering has a profound impact on the…