Related papers: A General Mechanism for Orbital Selective Phase Tr…
We found direct experimental evidence for an orbital switching in the V 3d states across the metal-insulator transition in VO$_{2}$. We have used soft-x-ray absorption spectroscopy at the V $L_{2,3}$ edges as a sensitive local probe, and…
We study a three-orbital Hubbard-Kanamori model relevant for iron-based superconductors using variational wave functions explicitly including spatial correlations and electron pairing. We span the nonmagnetic sector from filling $n=4$,…
A major puzzle about the nature of the iron-based superconductivity appears in the case of the alkaline iron selenides. Compared to the iron pnictides, these systems have only electron Fermi pockets (i.e. no hole Fermi pockets) but…
A mechanism for electronic phase separation in iron pnictides is proposed. It is based on the competition between commensurate and incommensurate spin-density-wave phases in a system with an imperfect doping-dependent nesting of a…
We consider a model of strongly correlated $e_g$ electrons interacting by superexchange orbital interactions in the ferromagnetic phase of LaMnO$_3$. It is found that the classical orbital order with alternating occupied $e_g$ orbitals has…
We have investigated the antiferromagnetic phase of the 2D, the 3D and the extended Hubbard models on a bipartite cubic lattice by means of the Composite Operator Method within a two-pole approximation. This approach yields a fully…
The normal state in iron chalcogenides is metallic but highly unusual, with orbital and spin degrees of freedom partially itinerant or localized depending on temperature, leading to many unusual features. In this work, we report on the…
In many materials, ordered phases and their order parameters are easily characterized by standard experimental methods. "Hidden order" refers to a phase transition in which an ordered state emerges without such an easily detectable order…
We use unrestricted Hartree-Fock, density matrix renormalization group, and variational projected entangled pair state calculations to investigate the ground state phase diagram of the triangular lattice Hubbard model at "half doping"…
Using a combination of th local-density approximtion (LDA) and dynamicla mean-field theory (DMFT) calculations, we explore the correlated electronic structure of a member of the layered Iron oxychalcogenide Na_{2}Fe_{2}OSe_{2}. We find that…
We show that spin-orbit coupling (SOC) plays Janus-faced roles on the orbitally-selective Mott transitions in a three-orbital Hubbard model with crystal field splitting at a specific filling of $2/3$, which is a minimal Hamiltonian for…
We have studied the extended Hubbard model with pair hopping in the atomic limit for arbitrary electron density and chemical potential. The Hamiltonian considered consists of (i) the effective on-site interaction U and (ii) the intersite…
We determine the localization threshold in a partially filled and orbitally degenerate model of correlated electrons. Particular emphasis is put on a non-integer band filling, when the system decomposes into the localized and the itinerant…
Within dynamical mean-field theory, we study the metal-insulator transition of a twofold orbitally degenerate Hubbard model as a function of a splitting \Delta of the degeneracy. The phase diagram in the U-\Delta plane exhibits two-band and…
We investigate the ground-state phase diagram of the one-dimensional "ionic" Hubbard model with an alternating periodic potential at half-filling by numerical diagonalization of finite systems with the Lanczos and density matrix…
We study the conductivity, density of states, and magnetic correlations of a two dimensional, two band fermion Hubbard model using determinant Quantum Monte Carlo (DQMC) simulations. We show that an orbitally selective Mott transition…
The existence of a novel metal-insulator transition in the ferromagnetic state of models for undoped manganites is here discussed using numerical techniques applied to the $e_{\rm g}$-orbital degenerate Hubbard model tightly coupled with…
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…
The electronic states of isostructural single-component molecular conductors [M(tmdt)2] (M= Ni, Au, and Cu) are theoretically studied. By considering fragments of molecular orbitals as basis functions, we construct a multiorbital model…
We present the influence of spin correlation on the metal-insulator transitions (MIT) in two-orbital Hubbard models by the Kotliar-Ruckenstein slave-boson approach. In the asymmetric half-filling situation, the two orbits simultaneously…