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Abstract: We have performed {\it ab-initio} electronic structure calculations todetermine the evolution of the electronic structure of WO$ 3$ with Na doping.Na doping introduces an additional electron when introduced into WO$ 3$. Theensuing electronic structure of Na doped WO$ 3$, we find, is very similar tothe electronic structure of an electron introduced into WO$ 3$, thus clarifyingthe role of the impurity potential due to Na. While the electronic structure ofNaWO$ 3$ allows a rigid band like description over a certain energy range,modifications introduced in the electronic structure can be related back to theelectron due to Na and not the impurity potential that one generally believesto be responsible.



Autor: Priya Mahadevan, Roby Cherian, K.J. Sankaran, D.D. Sarma

Fuente: https://arxiv.org/







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