Cargando…
Classification of octet AB-type binary compounds using dynamical charges: A materials informatics perspective
The role of dynamical (or Born effective) charges in classification of octet AB-type binary compounds between four-fold (zincblende/wurtzite crystal structures) and six-fold (rocksalt crystal structure) coordinated systems is discussed. We show that the difference in the dynamical charges of the fou...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2015
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4668360/ https://www.ncbi.nlm.nih.gov/pubmed/26631979 http://dx.doi.org/10.1038/srep17504 |