Metal-insulator transition in VO$_{2}$: a Peierls-Mott-Hubbard mechanism

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dc.creatorHuang, Xiangyang
dc.creatorYang, Weidong
dc.creatorEckern, Ulrich
dc.date1998-08-13
dc.date.accessioned2026-07-07T03:11:18Z
dc.date.available2026-07-07T03:11:18Z
dc.descriptionThe electronic structure of VO$_2$ is studied in the frameworks of local density approximation (LDA) and LDA+$U$ to give a quantitative description of the metal-insulator (MI) transition in this system. It is found that, both structural distortion and the local Coulomb interaction, play important roles in the transition. An optical gap, comparable to the experimental value has been obtained in the monoclinic structure by using the LDA+$U$ method. Based on our results, we believe that both, the Peierls and the Mott-Hubbard mechanism, are essential for a description of the MI transition in this system.
dc.description11 pages, 6 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/9808137
dc.identifierhttp://arxiv.org/abs/cond-mat/9808137
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/28520
dc.subjectMaterials Science
dc.subjectStrongly Correlated Electrons
dc.titleMetal-insulator transition in VO$_{2}$: a Peierls-Mott-Hubbard mechanism
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