Related papers: Distorted Perovskite with e_g^1 Configuration as a…
The magnetic structure of the novel Hg$_{0.7}$Na$_{0.3}$Mn$_3$Mn$_4$O$_{12}$, a quadruple manganite perovskite that exhibits a unique $G$-type charge and orbital ordered state distinct to other $A^{2+}$Mn$_3$Mn$_4$O$_{12}$ equivalents ($A$…
Distortions of the oxygen octahedra influence the fundamental electronic structure of perovskite oxides, such as their bandwidth and exchange interactions. Utilizing a fully ab-initio methodology based on density functional theory plus…
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 have experimentally found related anomalies in electrical resistivity, dc and ac magnetic susceptibility, appearing deeply within ferromagnetically ordered state in SrRuO3. Lack of Jahn-Teller distortion in this regime rules out…
MgGeO$_3$-perovskite is known to be a low-pressure analog of MgSiO$_3$-perovskite in many respects, but especially in regard to the post-perovskite transition. As such, investigation of spin state changes in Fe-bearing MgGeO$_3$ might help…
We combine the results of magnetic and transport measurements with neutron diffraction data to construct the structural and magnetic phase diagram of the entire family of SrMn$_{1-x}$Ru$_{x}$O$_3$ ($0 \leqslant x \leqslant 1$) perovskites.…
The orthorhombic perovskite NaOsO3 undergoes a continuous metal-insulator transition (MIT), accompanied by antiferromagnetic (AFM) order at T_N=410 K, suggested to be an example of the rare Slater (itinerant) MIT. We study this system using…
We study the effective spin-orbital model derived for the d9 ions in a three-dimensional perovskite lattice, as in KCuF_3, where at each site the doubly degenerate eg orbitals contain a single hole. The model describes the superexchange…
Analogs of the high-T$_c$ cuprates have been long sought after in transition metal oxides. Due to the strong spin-orbit coupling (SOC), the $5d$ perovskite iridates Sr$_2$IrO$_4$ exhibit a low-energy electronic structure remarkably similar…
In the perovskite Ti oxide RTiO3 (R=rare-earth ions), the Ti t2g orbitals and spins in the 3d^1 state couple each other through the strong electron correlations, resulting in a rich variety of orbital-spin phases. The origin and nature of…
Using ab initio calculations, we have investigated a cubic perovskite BaOsO3 and a few related compounds that have been synthesized recently and formally have a metallic d^4 configuration. In BaOsO3, which shows obvious 3-dimensional…
We study near-neighbour and dipolar Ising models on a lattice of corner-sharing octahedra. In an extended parameter range of both models, frustration between antiferromagnetism and a spin-ice-like three-in-three-out rule stabilises a…
The evolution of charge and orbital ordering phenomena in optimally-doped \textit{RE}\textsubscript{5/8}Ca\textsubscript{3/8}MnO\textsubscript{3} (RECMO, \textit{RE} $=$ rare-earth) manganite perovskites has been investigated through…
Hybrid transition metal oxides continue to attract attention due to their multiple degrees of freedom ($e.g.$, lattice, charge, spin, and orbital) and versatile properties. Here we investigate the magnetic and electronic properties of the…
Nd2Hf2O7, belonging to the family of geometrically frustrated cubic rare earth pyrochlore oxides, was recently identified to order antiferromagnetically below T_N = 0.55 K with an all-in/all-out arrangement of Nd3+ moments, however with a…
We propose experimental verification and theoretical explanation of magnetic anomalies in the complex Fe-contained double perovskite multiferroics like PbFe$_{1/2}$Nb$_{1/2}$O$_3$. The theoretical part is based on our model of coexistence…
We performed a first-principles study of the structural, vibrational, electronic and magnetic properties of NaMnF3 under applied isotropic pressure. We found that NaMnF3 undergoes a reconstructive phase transition at 8 GPa from the Pnma…
A new 3d-5d hybridized quadruple perovskite oxide, CaCu3Mn2Ir2O12, was synthesized by high-pressure and high-temperature methods. The Rietveld structure analysis reveals that the compound crystallizes in an AA'3B4O12-type perovskite…
The concept of spin-orbital entanglement on superexchange bonds in transition metal oxides is introduced and explained on several examples. It is shown that spin-orbital entanglement in superexchange models destabilizes the long-range (spin…
Reentrant spin glasses are frustrated disordered ferromagnets developing vortex-like textures under an applied magnetic field. Our study of a Ni$_{0.81}$Mn$_{0.19}$ single crystal by small angle neutron scattering clarifies their internal…