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Off-Centered Pb Interstitials in PbTe
Previous calculations have demonstrated that Te vacancies are energetically the major defects in PbTe. However, the Pb interstitials are also important because experiments have shown that the volume of Pb-rich PbTe increases at a higher Pb content. In this study, density functional theory calculatio...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8879023/ https://www.ncbi.nlm.nih.gov/pubmed/35207814 http://dx.doi.org/10.3390/ma15041272 |