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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...
Gorde:
| Argitaratua izan da: | Sci Rep |
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| Egile Nagusiak: | , , |
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
Nature Publishing Group
2015
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| Gaiak: | |
| Sarrera elektronikoa: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4668360/ https://ncbi.nlm.nih.gov/pubmed/26631979 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep17504 |
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