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ab initio Energetics and Thermoelectric Profiles of Gallium Pnictide Polytypes
The state-of-the-art Density Functional Theory (DFT) is utilized to investigate the structural, electronic, vibrational, thermal and thermoelectric properties of gallium pnictides GaX (X = P, As, Sb) in cubic zincblende (ZB) and hexagonal wurtzite (WZ) phases. The lattice parameters, bulk modulus, e...
Gardado en:
| Publicado en: | Sci Rep |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Nature Publishing Group UK
2019
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6458143/ https://ncbi.nlm.nih.gov/pubmed/30971735 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-019-41982-9 |
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