Effects of Single Doping and Composite Doping of Yttrium and Antimony on the Structural, Thermodynamic, Mechanical, and Electronic Properties of Mg2Si by First Principles
The structural, stability, thermodynamic, mechanical, and electronic properties of Y and Sb doped into Mg2Si were studied by first principles. The results show that the stable structures are Mg7Si4Y, Mg8Si4Sb, Mg6Si4YSb, and Mg7Si4YSb. Mg8Si4Sb has the largest ductility among them. Y doping causes s...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Hindawi Limited
2019-01-01
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| Series: | Journal of Nanomaterials |
| Online Access: | http://dx.doi.org/10.1155/2019/6307163 |