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Investigation on Mg(3)Sb(2)/Mg(2)Si Heterogeneous Nucleation Interface Using Density Functional Theory
In this study, the cohesive energy, interfacial energy, electronic structure, and bonding of Mg(2)Si (111)/Mg(3)Sb(2) (0001) were investigated by using the first-principles method based on density functional theory. Meanwhile, the mechanism of the Mg(3)Sb(2) heterogeneous nucleation potency on Mg(2)...
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| Publicado no: | Materials (Basel) |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7178643/ https://ncbi.nlm.nih.gov/pubmed/32260269 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma13071681 |
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