English

Electronic structure of NaWO$_3$: Role of the impurity potential

Materials Science 2007-06-12 v1

Abstract

We have performed {\it ab-initio} electronic structure calculations to determine the evolution of the electronic structure of WO3_3 with Na doping. Na doping introduces an additional electron when introduced into WO3_3. The ensuing electronic structure of Na doped WO3_3, we find, is very similar to the electronic structure of an electron introduced into WO3_3, thus clarifying the role of the impurity potential due to Na. While the electronic structure of NaWO3_3 allows a rigid band like description over a certain energy range, modifications introduced in the electronic structure can be related back to the electron due to Na and not the impurity potential that one generally believes to be responsible.

Keywords

Cite

@article{arxiv.0706.1400,
  title  = {Electronic structure of NaWO$_3$: Role of the impurity potential},
  author = {Priya Mahadevan and Roby Cherian and K. J. Sankaran and D. D. Sarma},
  journal= {arXiv preprint arXiv:0706.1400},
  year   = {2007}
}

Comments

16 pages, 7 figures