Local structure, magnetic and electronic properties of N-doped alpha-Cr2O3 from the first-principles

First-principles calculations based on the density functional theory (DFT) within the generalized gradient approximation (GGA) have been used to study the defective alpha-Cr2O3 crystal. Structural, electronic and magnetic properties have been investigated in the periodic crystalline structure contai...

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Bibliographische Detailangaben
1. Verfasser: Stashans, A. (author)
Format: article
Veröffentlicht: 2017
Schlagworte:
Online Zugang:http://dx.doi.org/10.1016/j.commatsci.2013.08.042
http://dspace.utpl.edu.ec/handle/123456789/19166
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