2007/06/11 by Priya Mahadevan, Mahadevan, Priya, Roby Cherian +6
Engineering · Physics and Astronomy · #FOS: Physical sciences #Gas Sensing Nanomaterials and Sensors #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.0706.1400
16 pages, 7 figures
arxiv created 2007/06/11 · openalex publication_date 2007/06/11 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We have performed \it ab-initio electronic structure calculations to determine the evolution of the electronic structure of WO3 with Na doping. Na doping introduces an additional electron when introduced into WO3. The ensuing electronic structure of Na doped WO3, we find, is very similar to the electronic structure of an electron introduced into WO3, thus clarifying the role of the impurity potential due to Na. While the electronic structure of NaWO3 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.