Investigation on Mg<sub>3</sub>Sb<sub>2</sub>/Mg<sub>2</sub>Si Heterogeneous Nucleation Interface Using Density Functional Theory
In this study, the cohesive energy, interfacial energy, electronic structure, and bonding of Mg<sub>2</sub>Si (111)/Mg<sub>3</sub>Sb<sub>2</sub> (0001) were investigated by using the first-principles method based on density functional theory. Meanwhile, the mechan...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2020-04-01
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| Series: | Materials |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1996-1944/13/7/1681 |