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Computer Modelling of Energy Structure of Yb(3+) and Lu(3+) Doped LaF(3) Crystals

The energy band structure, as well as partial and total densities of states have been calculated for LaF(3):Yb and LaF(3):Lu crystals within density functional theory using the projector augmented wave method and Hubbard corrections (DFT + U). The influence of geometric optimization on the results o...

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Detalles Bibliográficos
Autores principales:	Chornodolskyy, Yaroslav, Karnaushenko, Vladyslav, Selech, Jaroslaw, Vistovskyy, Vitaliy, Demkiv, Taras, Przystupa, Krzysztof, Syrotyuk, Stepan, Voloshinovskii, Anatolii
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9692246/ https://www.ncbi.nlm.nih.gov/pubmed/36431422 http://dx.doi.org/10.3390/ma15227937

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