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Structural, Elastic, Electronic and Optical Properties of SrTMO(3) (TM = Rh, Zr) Compounds: Insights from FP-LAPW Study
The structural, mechanical, electronic and optical properties of SrTMO(3) (TM = Rh, Zr) compounds are investigated by using first principle calculations based on density functional theory (DFT). The exchange-correlation potential was treated with the generalized gradient approximation (GGA) for the...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6213090/ https://www.ncbi.nlm.nih.gov/pubmed/30360385 http://dx.doi.org/10.3390/ma11102057 |