Vanadium Dioxide: A Peierls-Mott Insulator Stable against Disorder

Vanadium dioxide undergoes a first order metal-insulator transition at 340 K. In this Letter, we develop and carry out state-of-the-art linear scaling density-functional theory calculations refined with nonlocal 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 which furthermore survives a moderate degree of disorder.


Published in:
Physical Review Letters, 108, -
Year:
2012
Keywords:
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 Record created 2012-07-13, last modified 2018-01-28


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