A common method of adjusting the metal-insulator transition temperature of M1 VO2 is via disruption of the Peierls pairing by doping, or inputting stress or strain. However, since adding even small amounts of dopants will change the band structure, it is unclear how doped VO2 retains its insulating character observed in experiments. While strong correlations may be responsible for maintaining a gap, theoretical evidence for this has been very difficult to obtain due to the complexity of the many-body problem involved. In this work we use GW calculations modified to include strong local k-space interactions to investigate the changes in band structure from tungsten doping. We find that the combination of carrier doping and the experimentally observed structural defects introduced by inclusion of tungsten are consistent with a change from band-like to Mott-insulating behavior.
@article{arxiv.1507.00105,
title = {Electronic structure of tungsten-doped vanadium dioxide},
author = {Jamie M. Booth and Daniel W. Drumm and Phil S. Casey and Jackson S. Smith and Salvy P. Russo},
journal= {arXiv preprint arXiv:1507.00105},
year = {2017}
}