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A Novel Interstitial Site in Binary Rock-Salt Compounds
The energetic and mechanical stability of interstitial point defects in binary rock-salt materials were studied using the first-principles method. A novel, stable, and energetically competitive interstitial site (base-interstitial) was identified for anion interstitials in rock-salts. The formation...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9457209/ https://www.ncbi.nlm.nih.gov/pubmed/36079394 http://dx.doi.org/10.3390/ma15176015 |