Related papers: Unrestricted Hartree-Fock Analysis of Sr$_{3-x}$Ca…
Hartree-Fock calculations are presented of a theoretical model describing the Sr/CaRuO$_4$ family of compounds. Both commensurate and incommensurate magnetic states are considered, along with orbital ordering and the effect of lattice…
$\alpha$-RuCl$_3$ has been proposed recently as an excellent playground for exploring Kitaev physics on a two-dimensional (2D) honeycomb lattice. However, structural clarification of the compound has not been completed, which is crucial in…
Effects of lattice distortion on the magnetic ground state of YTiO$_3$ and LaiO$_3$ are investigated on the basis accurate tight-binding parametrization of the $t_{2g}$ electronic structure extracted from the local-density approximation.…
The effect of the spin-orbit coupling on the ground state properties of the square-lattice three-band Hubbard model with a single electron per site is studied by a generalized Hartree-Fock approximation. We calculate the full phase diagram…
Multiple spin density waves and related vortex-type magnetic structures in the itinerant electron system with inversion symmetry have been investigated on the basis of the Hubbard model and the generalized Hartree-Fock approximation…
The Hund's-rule-exchange induced and coexisting spin-triplet paired and magnetic states are considered within the doubly degenerate Hubbard model with interband hybridization. The Hartree-Fock approximation combined with the…
Motivated by the recent discovery of Fe-based superconductors close to an antiferromagnetic insulator in the experimental phase diagram, here the five-orbital Hubbard model (without lattice distortions) is studied using the real-space…
In this paper, we investigate the ground state of two-dimensional disordered cylinders which contain spinless, interacting electrons using the Hartree-Fock approximation. Calculations of the deviation of the polarization from uniformity…
In this paper we explore the phase diagram and excitations of a distorted triangular lattice antiferromagnet. The unique two-dimensional distortion considered here is very different from the 'isosceles'-type distortion that has been…
The 3d electronic structure and phase transition in pure and Cr doped V2O3 are theoretically investigated in relation to the 3d spin-orbit interaction and lattice distortion. A model consisting of the nearest-neighbor V ion pair with full…
Several puzzling aspects of interplay of the experimental lattice distortion and the the magnetic properties of four narrow $t_{2g}$-band perovskite oxides (YTiO$_3$, LaTiO$_3$, YVO$_3$, and LaVO$_3$) are clarified using results of…
The ground states of the two-dimensional repulsive Hubbard model are studied within the unrestricted Hartree-Fock (UHF) theory. Magnetic and charge properties are determined by systematic, large-scale, exact numerical calculations, and…
We report magnetization and neutron diffraction studies on crystal and magnetic structures of Ir- and Rh-substituted honeycomb lattice $\alpha$-RuCl$_3$. The iridium or rhodium atoms are distributed at the Ru site with little structural…
The electronic nematic phase of Sr$_3$Ru$_2$O$_7$ is investigated by high-resolution in-plane thermal expansion measurements in magnetic fields close to 8 T applied at various angles $\Theta$ off the c-axis. At $\Theta<10^\circ$ we observe…
Ca3Ru2O7 is a correlated and spin-orbit-coupled system with an extraordinary anisotropy. It is both interesting and unique largely because this material exhibits conflicting phenomena that are often utterly inconsistent with traditional…
We report a muon spin rotation/relaxation ($\mu$SR) study of single-crystalline samples of the $\alpha$-RuCl$_3$ honeycomb magnet, which is presumed to be a model compound for the Kitaev-Heisenberg interaction. It is inferred from magnetic…
We find a lattice instability in the superconductor KCr$_3$As$_3$, corresponding to a distortion of the Cr metallic wires in the crystal structure. This distortion couples strongly to both the electronic and magnetic properties, in…
The effects of lattice relaxation in LaTiO$_3$/SrTiO$_3$ superlattices are investigated using a combination of LDA$+U$ density functional theory, and Hartree-Fock effective Hamiltonian calculations. We find noticeable ($\sim 0.1$--0.2 \AA)…
From low-temperature Synchrotron X-ray diffraction, a precise thermal characterization of octahedral distortions in single phase Ruddlesden-Popper Ca3Mn2O7 is performed. Highly sensitive close-steps temperature dependences of Mn-O-Mn bond…
LiCu$_3$O$_3$ is a novel 2D S=1/2 antiferromagnet with randomly depleted square lattice. The crystal structure contains two types of square planes with different Cu$^{2+}\rightarrow$ Li$^{+}$ substitution rates (20% and 40%). $^7$Li NMR and…