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Investigation on Mg₃Sb₂/Mg₂Si Heterogeneous Nucleation Interface Using Density Functional Theory

Mingjie Wang,
Guowei Zhang,
Hong Xu and
Yizheng Fu

Materials2020, 13(7), 1681;https://doi.org/10.3390/ma13071681

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3 April 2020

In this study, the cohesive energy, interfacial energy, electronic structure, and bonding of Mg2Si (111)/Mg3Sb2 (0001) were investigated by using the first-principles method based on density functional theory. Meanwhile, the mechanism of the Mg3Sb2 h...

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Investigation on Mg3Sb2/Mg2Si Heterogeneous Nucleation Interface Using Density Functional Theory

Investigation on Mg₃Sb₂/Mg₂Si Heterogeneous Nucleation Interface Using Density Functional Theory