Coulomb Correlations and Orbital Polarization in the Metal Insulator Transition of VO2
A. Liebsch, H. Ishida, G. Bihlmayer
Abstract
The quasi-particle spectra in the metallic rutile and insulating monoclinic phases of VO2 are shown to be dominated by local Coulomb interactions. In the rutile phase the small orbital polarization among V 3d t2g states leads to weak static but strong dynamical correlations. In the monoclinic phase the large 3d orbital polarization caused by the V--V Peierls distortion gives rise to strong static correlations which are shown to be the primary cause of the insulating behavior.
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