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Cu-Doped KCl Unfolded Band Structure and Optical Properties Studied by DFT Calculations
The unfolded band structure and optical properties of Cu-doped KCl crystals were computed by first principles within the framework of density functional theory, implemented in the ABINIT software program, utilizing pseudopotential approximation and a plane-wave basis set. From a theoretical point of...
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| Autors principals: | , , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
MDPI AG
2020-09-01
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| Col·lecció: | Materials |
| Matèries: | |
| Accés en línia: | https://www.mdpi.com/1996-1944/13/19/4300 |
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