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Electronic structure and dielectric properties calculations of pure tin dioxide and of vacancies in tin dioxide

Authors: P. D. Borges; L. M. R. Scolfaro; H. W. Leite Alves; E. F. da Silva; Marília Caldas; Nelson Studart;

Electronic structure and dielectric properties calculations of pure tin dioxide and of vacancies in tin dioxide

Abstract

In this work we report the results of ab initio electronic structure calculations for pure SnO2 as well as for some defects, such as the oxygen vacancy and the interstitial tin impurity, and for the In and Sb as substitutional impurities in a configuration which corresponds to a concentration of 4.2%. We also show results for related optical properties which are derived directly from the band structure. Our findings are in good agreement with the available data, and the role of the studied systems is described in the present work.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
6
Average
Average
Average
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