Phys. Rev. B 71, 085109 (2005) [5 pages]Coulomb correlations and orbital polarization in the metal-insulator transition of VO2Received 28 June 2004; revised 8 September 2004; published 10 February 2005 The quasiparticle 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 VV Peierls distortion gives rise to strong static correlations which are shown to be the primary cause of the insulating behavior. © 2005 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.71.085109
DOI:
10.1103/PhysRevB.71.085109
PACS:
71.20.Be, 71.27.+a, 79.60.Bm
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