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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| 格式: | article |
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2017
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| 在线阅读: | http://dx.doi.org/10.1016/j.commatsci.2013.08.042 http://dspace.utpl.edu.ec/handle/123456789/19166 |
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