Novel Unexpected Reconstructions of (100) and (111) Surfaces of NaCl: Theoretical Prediction

We have predicted stable reconstructions of the (100) and (111) surfaces of NaCl using the global optimization algorithm USPEX. Several new reconstructions, together with the previously reported ones, are found. For the cleaved bare (100) surface, pure Na and pure Cl are the only stable surface phas...

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Detalles Bibliográficos
Autores principales: Kvashnin, Alexander G., Kvashnin, Dmitry G., Oganov, Artem R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6776646/
https://www.ncbi.nlm.nih.gov/pubmed/31582761
http://dx.doi.org/10.1038/s41598-019-50548-8

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6776646/
https://www.ncbi.nlm.nih.gov/pubmed/31582761
http://dx.doi.org/10.1038/s41598-019-50548-8

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