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• W2070292607 abstract "Vanadium dioxide is a prototype material for the discussion of correlation effects in solids. First-principles density-functional theory does not describe the metal-insulator transition, whereas strongly correlated models reproduce the main features. Here we present a parameter-free $GW$ calculation of ${mathrm{VO}}_{2}$ and show that the correlation effects in the band structure of both the metallic and the insulating phases are correctly reproduced, provided that quasiparticle energies and wave functions are calculated self-consistently. Our calculations explain the satellite in the photoemission spectrum of the metal as due to a plasmon resonance in the energy-loss function and show that this feature disappears in the insulator." @default.
• W2070292607 created "2016-06-24" @default.
• W2070292607 creator A5000827095 @default.
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• W2070292607 date "2007-12-28" @default.
• W2070292607 modified "2023-10-16" @default.
• W2070292607 title "Understanding Correlations in Vanadium Dioxide from First Principles" @default.
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• W2070292607 doi "https://doi.org/10.1103/physrevlett.99.266402" @default.
• W2070292607 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/18233592" @default.
• W2070292607 hasPublicationYear "2007" @default.
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