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

doi:10.1103/PhysRevLett.108.256402

Vanadium dioxide : A Peierls-Mott insulator stable against disorder

Strongly Correlated Electrons 2012-07-11 v2 Materials Science

Authors: 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.

Keywords

vanadium dioxide phase transition metal-insulator transition

Cite

@article{arxiv.1202.1423,
  title  = {Vanadium dioxide : A Peierls-Mott insulator stable against disorder},
  author = {Cedric Weber and David D. O'Regan and Nicholas D. M. Hine and Mike C. Payne and Gabriel Kotliar and Peter B. Littlewood},
  journal= {arXiv preprint arXiv:1202.1423},
  year   = {2012}
}

Comments

5 pages, 4 figures. Supplementary material 8 pages, 4 figures. This version (v2) matches that accepted for Physical Review Letters on 16th May 2012

Vanadium dioxide : A Peierls-Mott insulator stable against disorder

Abstract

Keywords

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