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The nondegenerate two-orbital Hubbard model is studied within the dynamic mean-field theory to reveal the influence of two important factors, i.e. crystal field splitting and interorbital hopping, on orbital selective Mott transition (OSMT) and realistic compound Ca$_{2-x}$Sr$_{x}$RuO$_{4}$. A distinctive feature of the optical conductivity of the two nondegenerate bands is found in OSMT phase, where the metallic character of the wide band is indicated by a nonzero Drude peak, while the insulating narrow band has its Drude peak drop to zero in the mean time. We also find that the OSMT regime expands profoundly with the increase of interorbital hopping integrals. On the contrary, it is shown that large and negative level splitting of the two orbitals diminishes the OSMT regime completely. Applying the present findings to compound Ca$_{2-x}$Sr$_{x}$RuO$_{4}$, we demonstrate that in the doping region from $x=0.2$ to 2.0, the negative level splitting is unfavorable to the OSMT phase.
We investigate the effects of crystal field splitting in a doped two-band Hubbard model with different bandwidths within dynamical mean-field theory (DMFT), using a quantum Monte Carlo impurity solver. In addition to an orbital-selective Mott phase (
We present a study of the paramagnetic metallic and insulating phases of vanadium sesquioxide by means of the $N$th order muffin-tin orbital implementation of density functional theory combined with dynamical mean-field theory. The transition is show
The origin of successive phase transitions observed in the layered perovskite $alpha$-Sr$_2$CrO$_4$ is studied by the density-functional-theory-based electronic structure calculation and mean-field analysis of the proposed low-energy effective model.
Quantum magnets with spin $J=2$, which arise in spin-orbit coupled Mott insulators, can potentially display multipolar orders. We carry out an exact diagonalization study of a simple octahedral crystal field Hamiltonian for two electrons, incorporati
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 description of cor