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arXiv · 1202.1423

Vanadium dioxide : A Peierls-Mott insulator stable against disorder

Cedric Weber·David D. O'Regan·Nicholas D. M. Hine·Mike C. Payne·Gabriel Kotliar·Peter B. Littlewood
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Abstract

Vanadium dioxide undergoes a first order metal-insulator transition at 340 K. In this work, we develop and carry out state of the art linear scaling DFT calculations refined with non-local dynamical mean-field theory. We identify a complex mechanism, a Peierls-assisted orbital selection Mott instability, which is responsible for the insulating M$_1$ phase, and furthermore survives a moderate degree of disorder.

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Cedric Weber, David D. O'Regan, Nicholas D. M. Hine, Mike C. Payne, Gabriel Kotliar, Peter B. Littlewood. 2012-02-07. Vanadium dioxide : A Peierls-Mott insulator stable against disorder. https://doi.org/10.1103/physrevlett.108.256402

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