Related papers: Distorted Perovskite with e_g^1 Configuration as a…
We present a model describing the lattice distortion and incommensurate magnetic order in the spinel CdCr2O4, a good realization of the Heisenberg "pyrochlore" antiferromagnet. The magnetic frustration is relieved through the spin-Peierls…
The structure and ground state electronic structure of the recently synthesized SrPdO$_3$ perovskite [A. Galal {\em et al.}, J. Power Sources, {\bf 195}, 3806 (2010)] have been studied by means of screened hybrid functional and the GW…
We investigate the electronic, magnetic and orbital properties of La0.5Ca0.5MnO3 perovskite by means of an ab initio electronic structure calculation within the Hartree-Fock approximation. Using the experimental crystal structure reported…
The spin dynamics in the geometrically frustrated pyrochlore antiferromagnet $\rm Gd_2Sn_2O_7$ is studied by means of the electron spin resonance. In the ordered phase ($T_N = 1$ K), we have detected three gapped resonance modes. Their…
Conflicting interpretations of experimental data preclude the understanding of the quantum magnetic state of spin-orbit coupled $d^2$ double perovskites. Whether the ground state is a Janh-Teller-distorted order of quadrupoles or the…
The multiferroic ferroborate GdFe$_3$(BO$_3$)$_4$ with huntite-type structure exhibits magnetic ordering below T$_N$ = 38 K and contains two magnetic subsystems associated with Gd and Fe ions. Competing anisotropies of these subsystems…
Single crystals of electron-doped SrMnO3 with a cubic perovskite structure have been systematically investigated as the most canonical (orbital-degenerate) double-exchange system, whose ground states have been still theoretically…
We study how strain affects orbital ordering and magnetism at the interface between SrMnO$_3$ and LaMnO$_3$ from density-functional calculations and interpret the basic results in terms of a three-site Mn-O-Mn model. Magnetic interaction…
NMR studies have been carried out on a single crystal sample of TbBaCo2O5.5 with the oxygen-deficient perovskite structure. We have also carried out neutron diffraction studies and added new results to our previously published data. By…
Nitride perovskites $AB$N$_3$ are an emerging and highly under-explored class of materials that are of interest due to their intriguing calculated ferroelectric, optoelectronic, and other functional properties. Incorporating novel $A$-site…
Density functional calculations are performed to study the magnetic order of the severely distorted square planar cupric oxide (CuO) and local spin disorder in it in the presence of the transition metal impurities M (= Cr, Mn, Fe, Co and…
We study polycrystalline samples of KCu3As2O7(OH)3, a new candidate spin-1/2 kagome antiferromagnet, by magnetic susceptibility and heat capacity measurements above 2 K. The unique arrangement of the 3z2 - r2 and x2 - y2 orbitals on the…
We investigate the quantum phases of the frustrated spin-$\frac{1}{2}$ $J_1$-$J_2$-$J_3$ Heisenberg model on the square lattice with ferromagnetic $J_1$ and antiferromagnetic $J_2$ and $J_3$ interactions. Using the pseudo-fermion functional…
In order to study the magnetic and crystal structures in the Nd{1-x}Sr{x}MnO{3} system, we have peformed neutron diffraction measurements on melt-grown polycrystalline samples with 0.49 < x < 0.75. As a function of hole concentration x, the…
Motivated by recent experiments, we present a comprehensive theoretical study of the geometrically frustrated strongly correlated magnetic insulator Mn$_3$O$_4$ spinel oxide based on a microscopic Hamiltonian involving lattice, spin and…
In a strongly frustrated square-lattice antiferromagnet with diagonal coupling J', for J/(2J') < 1, an incommensurate spiral state with propagation vector Q = (\pi +/- \delta, \pi +/- \delta) near (\pi,\pi) competes closely with the Neel…
The mechanisms of magnetic and orbital interactions due to double exchange (DE) and superexchange (SE) in transition metal oxides with degenerate e_g orbitals are presented. Specifically, we study the effective spin-orbital models derived…
The geometrically frustrated double perovskite Ba2YRuO6 has magnetic 4d3 Ru5+ ions decorating an undistorted face-centered cubic (FCC) lattice. This material has been previously reported to exhibit commensurate long-range antiferromagnetic…
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,…
Dilution effects on the long-range ordered state of the doubly degenerate $e_g$ orbital are investigated. Quenched impurities without the orbital degree of freedom are introduced in the orbital model where the long-range order is realized…