Related papers: Successive Phase Transitions in Na_{0.5}CoO_{2} ba…
Motivated by the absence of cooperative Jahn-Teller effect in LiNiO2 and BaVS3, two layered oxides with triangular planes, we study the SU(4) symmetric spin-orbital model on the triangular lattice. Upon reducing the next-nearest neighbour…
The electronic state in layered cobalt oxides with hexagonal structure is examined. We find that the electronic structure reflects the nature of the Kagom\'e lattice hidden in the CoO_2 layer which consists of stacked triangular lattices of…
A multiband CuO Hubbard model is studied which incorporates long-range (LR) repulsive Coulomb interactions. In the atomic limit, it is shown that a charge-transfer from copper to oxygen ions occurs as the strength of the LR interaction is…
Despite the importance of the electron correlation in the first-principles description of the Li-ion cathode materials, the Coulomb interaction parameter, U is often treated as an ad hoc value. In practice, one usually relies on empirical…
Sodium cobaltate Na_xCoO_2 as dopable strongly correlated layered material with a triangular sublattice still poses a challenging problem in condensed matter. The intriguing interplay between lattice, charge, spin and orbital degrees of…
Sodium-ion batteries have gained much interest over the past years and especially layered oxides are highly considered as cathodes for the next generation of batteries. However, there are still significant challenges to overcome in these…
Quantum phase transitions in the Hubbard model on the honeycomb lattice are investigated in the variational cluster approximation. The critical interaction for the paramagnetic to antiferromagnetic phase transition is found to be in…
The Quantum Monte Carlo simulations of the ionic Hubbard model on a two-dimensional square lattice at half filling were performed. The method based on the direct-space, proposed by Suzuki and al., Hirsch and al., was used. Cycles of…
We predict a quantum phase transition from normal to topological insulators in the 5$d$ transition metal oxide Na$_2$IrO$_3$, where the transition can be driven by the change of the long-range hopping and trigonal crystal field terms. From…
We present a detailed study of the Bose-Hubbard model in a $p$-band triangular lattice by focusing on the evolution of orbital order across the superfluid-Mott insulator transition. Two distinct phases are found in the superfluid regime.…
We report a detailed study of a model Hamiltonian which exhibits a rich interplay of geometrical spin frustration, strong electronic correlations, and charge ordering. The character of the insulating phase depends on the magnitude of…
Data taken by various kinds of methods including NMR/NQR and neutron scattering are presented for NaxCoO2, in particular, for Na0.5CoO2. Attentions have also been paid to the x dependence of the electronic nature. The pseudo-gap-like…
In this work we investigate the phase diagram of heavy (4d and 5d) transition metal oxides on the pyrochlore lattice, such as those of the form $\mathrm{A_2M_2O_7}$, where A is a rare earth element and M is a transition metal element. We…
We describe a simple scheme to construct a low-energy effective Hamiltonian H_eff for highly correlated systems containing non-metals like O, P or As (O in what follows) and a transition-metal (M) as the active part in the electronic…
Magnetization processes of spin-1/2 layered triangular-lattice antiferromagnets (TLAFs) under a magnetic field H are studied by means of a numerical cluster mean-field method with a scaling scheme. We find that small antiferromagnetic…
We study a one-dimensional extended Hubbard model with longer-range Coulomb interactions at quarter-filling in the strong coupling limit. We find two different charge-ordered (CO) ground states as the strength of the longer range…
We demonstrate the existence of orbital Coulomb phase as the exact ground state of p-orbital exchange Hamiltonian on the diamond lattice. The Coulomb phase is an emergent state characterized by algebraic dipolar correlations and a gauge…
We examine critically two different recently proposed models of charge ordering in the nominally 1/4-filled organic charge transfer solids (CTS). In one dimension, the two models are characterized by site charge densities of the form…
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…
We study an extended Hubbard model with the nearest-neighbor Coulomb interaction on the pyrochlore lattice at half filling. An interaction-driven insulating phase with nontrivial Z_2 invariants emerges at the Hartree-Fock mean-field level…