Related papers: Orbital ordering in undoped manganites using Jahn-…
The electronic and magnetic properties of monoclinic double perovskite Sr$_2$CeIrO$_6$ were examined based on both experiments and first-principles density functional theory calculations. From the calculations we conclude that…
We study the classical Heisenberg model for spins on a pyrochlore lattice interacting via long range dipole-dipole forces and nearest neighbor exchange. Antiferromagnetic exchange alone is known not to induce ordering in this system. We…
Symmetry arguments are used to develop a spin Hamiltonian for the description of the complex magnetic ordering in HoMnO$_3$. Using a novel application of the Landau Lifshitz Gilbert dynamic torque equations to this model of the frustrated…
The origin of the G-type antiferromagnetism (AFM(G)) and puzzling properties of RTiO$_3$ with R=La are studied. We clarify that the crystal field from La caused by the GdFeO$_3$-type distortion lifts the $t_{2g}$ degeneracy at Ti 3d…
Using density functional theory (DFT) with local density approximation (LDA) and generalized gradient approximation (GGA) correlation functionals, the electronic and magnetic structures of cubic BaFeO$_{3}$ in the ferromagnetic (FM) and…
We examine the effect of small amounts of magnetic substituents in the $A$ sites of the frustrated spinels MgCr$_2$O$_4$ and ZnCr$_2$O$_4$. Specifically we look for the effects of spin and lattice disorder on structural changes accompanying…
The longitudinal ultrasonic sound velocity and attenuation, the resistivity, and lattice parameters were studied as a function of temperature from 30 K to 300 K in La1-xCaxMnO3 (0.5<x<0.9). For all the samples, a dramatic stiffening of the…
We performed resonant and nonresonant x-ray diffraction studies of a Nd0.5Sr0.5MnO3 thin film that exhibits a clear first-order transition. Lattice parameters vary drastically at the metal-insulator transition at 170K (=T_MI), and…
Temperature and polarization dependent electronic structure of La1/2Sr3/2MnO4 were investigated by optical conductivity analyses. With decreasing temperature, for E//ab, a broad mid-infrared (MIR) peak of La1/2Sr3/2MnO4 becomes narrower and…
We have studied the Heisenberg antiferromagnets on two-dimensional frustrated lattices, triangular and kagome lattices using linear spin-wave theory. A collinear ground state ordering is possible if one of the three bonds in each triangular…
The consequences of the Jahn-Teller (JT) orbital-lattice coupling for magnetism of pseudospin J_{eff}=1/2 and J_{eff}=0 compounds are addressed. In the former case, represented by Sr_2IrO_4, this coupling generates, through the so-called…
Using high resolution X-Ray diffraction (XRD) on high purity powders, we resolved the structure and $ab$ symmetry of the intriguing compound \svo$ $ from room temperature down to 20 K to an unprecedented level of accuracy. Upon cooling,…
The effective Hamiltonian for perovskite titanates is derived by taking into account the three-fold degeneracy of $t_{2g}$ orbitals and the strong electron-electron interactions. The magnetic and orbital ordered phases are studied in the…
Spin, charge, and orbital structures in models for doped manganites are studied by a combination of analytic mean-field and numerical relaxation techniques. At realistic values for the electron-phonon and antiferromagnetic $t_{2g}$ spin…
We studied in detail the structural relaxation and Jahn-Teller distortion in LaMnO3 (001) surface of the orthorhombic phase by means of classical atomistic simulation. It is found that MnO2-terminated surface is more energetically favorable…
We investigate the electronic properties of multi-domain configurations in models for undoped manganites by means of variational and Monte Carlo techniques. These materials display simultaneous Jahn-Teller distortions and magnetic ordering.…
Motivated by the recent neutron diffraction experiment on $YVO_3$, we consider a microscopic model where each $V^{3+}$ ion is occupied by two 3d electrons of parallel spins with two fold degenerate orbital configurations. The mean field…
We discuss the ground state of the spin-orbital model for spin-one ions with partially filled $t_{2g}$ levels on a honeycomb lattice. We find that the orbital degrees of freedom induce a spontaneous dimerization of spins and drive them into…
We use ab initio electronic structure calculations within the generalized gradient approximation (GGA+U) to density functional theory (DFT) to determine the microscopic exchange interactions in the series of orthorhombic rare-earth…
The effects of uniaxial strain on the structural, orbital, optical, and magnetic properties of LaMnO_3 are calculated using a general elastic energy expression, along with a tight-binding parameterization of the band theory. Tensile…