Related papers: Orbital Selective Phase Transition
We investigate the highly frustrated spin and orbital superexchange interactions in cubic vanadates. The fluctuations of $t_{2g}$ orbitals trigger a {\it novel mechanism of ferromagnetic interactions} between spins S=1 of V$^{3+}$ ions…
We investigate a quarter-filled two-band Hubbard model involving a crystal-field splitting, which lifts the orbital degeneracy as well as an inter-orbital hopping (inter-band hybridization). Both terms are relevant to the realistic…
Effects of spontaneous parity breaking by charge, spin, and orbital orders are investigated in a two-band Hubbard model on a honeycomb lattice. This is a minimal model in which the inter-orbital hopping, atomic spin-orbit coupling, and…
Electron correlations play a central role in iron-based superconductors. In these systems, multiple Fe $3d$-orbitals are active in the low-energy physics, and they are not all degenerate. For these reasons, the role of orbital-selective…
We study a model of two concentric onedimensional rings with incommensurate areas $A_1$ and $A_2$, in a constant magnetic field. The two rings are coupled by a nonhomogeneous inter-ring tunneling amplitude, which makes the one-particle…
We demonstrate that the three-dimensional $e_g$ orbital Hubbard model can be generalized to arbitrary dimension $d$, and that the form of the result is determined uniquely by the requirements that (i) the two-fold degeneracy of the $e_g$…
Using {\it ab initio} band structure calculations we show that mineral cubanite, CuFe$_2$S$_3$, demonstrates an orbital-selective behavior with some of the electrons occupying molecular orbitals of $x^2-y^2$ symmetry and others localized at…
In order to explore how superconductivity arises when charge fluctuations and spin fluctuations coexist, we have obtained a phase diagram against the off-site repulsion V and band filling n for the extended, repulsive Hubbard model on the…
In this work we study interacting electrons on square lattice in the presence of strong Rashba spin-orbit interaction. The spin-orbit term forces the time-reversal electron states to be paired in even Cooper channels. For concreteness, we…
Using the formalism of pseudospin and isospin operators the Hamiltonian of an effective Kugel-Khomskii model with spin-orbit coupling is derived with an exact account of the $t_{2g}$ multiplet splitting by the crystal field. An analytical…
We study the consequences of Coulomb interactions on a system undergoing a putative first order phase transition. In two dimensions (2D), near the critical density, the system is universally unstable to the formation of new intermediate…
In solids, crystal field splitting refers to the lifting of atomic orbital degeneracy by the surrounding ions through the static electric field. Similarly, we show that the degenerated $d$ orbitals, which were derived in the harmonic…
We present the results of an LDA and LDA+U band structure study of the monoclinic and the corundum phases of V2O3 and argue that the most prominent (spin 1/2) models used to describe the semiconductor metal transition are not valid.…
The spinless Falicov-Kimball model on the simple cubic lattice is analyzed in the Hubbard-I and dynamical mean field (DMFT) approximations. The Matsubara and real frequency itinerant electron Green's functions, the evolution of the system…
We investigate the electronic and structural properties of CuO, which shows significant deviations from the trends obeyed by other transition-metal monoxides. Using an extended Hubbard corrective functional, we uncover an orbitally ordered…
We investigate the general structure of orbital exchange physics in Mott-insulating states of $p$-orbital systems in optical lattices. Orbital orders occur in both the triangular and Kagome lattices. In contrast, orbital exchange in the…
We study the interplay between the electron-phonon (e-ph) and on-site electron-electron (e-e) interactions in a three-orbital Hubbard-Holstein model on an extended one-dimensional lattice using determinant quantum Monte Carlo. For weak e-e…
Current theoretical studies of electronic correlations in transition metal oxides typically only account for the local repulsion between d-electrons even if oxygen ligand p-states are an explicit part of the effective Hamiltonian.…
We analyze a system composed of itinerant electrons and localized spins with on-site interactions representing the Hund's first rule. Properties of the system are studied rigorously on the infinite square lattice but the configurational…
A short introduction to the complex phenomena encountered in transition metal oxides with either charge or orbital or joint charge-and-orbital order, usually accompanied by magnetic order, is presented. It is argued that all the types of…