Related papers: Orbital-Selective Mott Transition and Evolution of…
The metal-insulator transition in VO2 was investigated using the three-band Hubbard model, in which the degeneracy of the 3d orbitals, the on-site Coulomb and exchange interactions, and the effects of lattice distortion were considered. A…
We examine whether the Mott transition of a half-filled, two-orbital Hubbard model with unequal bandwidths occurs simultaneously for both bands or whether it is a two-stage process in which the orbital with narrower bandwith localizes first…
The bad-metal behavior of the iron pnictides has motivated a theoretical description in terms of a proximity to Mott localization. Since the parent compounds of the iron pnictides contain an even number of 3d-electrons per Fe, it is…
We present results of combined density functional theory plus dynamical mean-field theory (DFT+DMFT) calculations, which show that the Mott insulator LaTiO3 undergoes an insulator-to-metal transition under compressive epitaxial strain of…
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 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…
We present first-principles studies on the orbital states of the layered perovskites Ca$_{2-x}$Sr$_x$RuO$_4$. The crossover from antiferromagnetic (AF) Mott insulator for $x < 0.2$ to nearly ferromagnetic (FM) metal at $x=0.5$ is…
While the phase diagrams of the one- and multi-orbital Hubbard model have been well studied, the physics of real Mott insulators is often much richer, material dependent, and poorly understood. In the prototype Mott insulator…
A three band model containing the essential physics of transition metal oxides with partially filled t_2g shells is solved in the single-site dynamical mean field approximation, using the full rotationally invariant Slater-Kanamori…
The spin-orbit Mott insulator Sr3Ir2O7 provides a fascinating playground to explore insulator-metal transition driven by intertwined charge, spin, and lattice degrees of freedom. Here, we report high pressure electric resistance and…
We determine the electronic structure and phase stability of paramagnetic V$_2$O$_3$ at the Mott-Hubbard metal-insulator phase transition, by employing a combination of an ab initio method for calculating band structures with dynamical…
Strong electron-electron interaction can induce Mott insulating state, which is believed to host unusual correlated phenomena such as quantum spin liquid when quantum fluctuation dominates and unconventional superconductivity through…
I investigate band and Mott insulating states in a two-band Hubbard model, with the aim of understanding the differences between the idealised one-orbital model and the more realistic multi-band case. Using a projection ansatz I show that…
The doping induced insulator-metal transition in $La_{1-x}Sr_{x}TiO_{3}$ is studied using the ab-initio LDA+DMFT method. Combining the LDA bandstructure for the actual, distorted structure found recently with multi-orbital DMFT to treat…
We construct a holographic model in the framework of Q-lattices whose dual exhibits metal-insulator transitions. By introducing an interacting term between the Q-lattice and the electromagnetic field in bulk geometry, we find such kind of…
A lightly doped perovskite mangantite La_{0.88}Sr_{0.12}MnO_3 exhibits a phase transition at T_{OO}=145 K from a ferromagnetic metal (T_C=172 K) to a novel ferromagnetic insulator.We identify that the key parameter in the transition is the…
A systematic study of the electronic structure in perovskite manganites is presented. The effective Hamiltonian is derived by taking into account the degeneracy of $e_g$ orbitals and strong electron correlation in Mn ions. The spin and…
The checkerboard lattice, with alternating 'crossed' plaquettes, serves as the two dimensional analog of the pyrochlore lattice. The corner sharing plaquette structure leads to a hugely degenerate ground state, and no magnetic order, for…
VO2 is a strongly correlated material, which undergoes a reversible metal insulator transition (MIT) coupled to a structural phase transition upon heating (T= 67{\deg} C). Since its discovery the nature of the insulating state has long been…
We explore the Mott transition in orthorhombic diamond lattices relevant to (ET)Ag$_4$(CN)$_5$ molecular compounds. The non-interacting phases include nodal line, Dirac and/or Weyl semimetals depending on the strength of spin-orbit coupling…