SnO2 Physical and Chemical Properties due to the impurity doping

Abstract�First-principles calculations based on the Density Functional Theory (DFT) within the generalized gradient approximation (GGA), and the introduction of intra-atomic interaction term for strongly correlated electrons (DFT+U), have been utilized to study defective SnO2 crystals. Introduction...

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Bibliographische Detailangaben
1. Verfasser: Rivera Escobar, R. (author)
Weitere Verfasser: Stashans, A. (author), Puchaicela Huaca, L. (author)
Format: article
Veröffentlicht: 2013
Schlagworte:
DFT
Online Zugang:http://dspace.utpl.edu.ec/handle/123456789/19196
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