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Electronic structure and bandgap of γ-Al(2)O(3) compound using mBJ exchange potential
γ-Al(2)O(3) is a porous metal oxide and described as a defective spinel with some cationic vacancies. In this work, we calculate the electronic density of states and band structure for the bulk of this material. The calculations are performed within the density functional theory using the full poten...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer
2012
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3503660/ https://www.ncbi.nlm.nih.gov/pubmed/22937842 http://dx.doi.org/10.1186/1556-276X-7-488 |