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Journal of Nanomaterials
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Journal of Nanomaterials
/
2019
/
Article
/
Tab 1
/
Research Article
Effects of Single Doping and Composite Doping of Yttrium and Antimony on the Structural, Thermodynamic, Mechanical, and Electronic Properties of Mg
2
Si by First Principles
Table 1
The optimized lattice parameters for Y and (or) Sb doping of Mg
2
Si.
Phase
Lattice constants (nm)
Cell volume (nm
3
)
Ref.
Mg
8
Si
4
[
31
]
[
32
]
[
33
]
(a) Mg
7
Si
4
Y
(b) Mg
8
Si
3
Y
(c) Mg
8
Si
4
Y
(d) Mg
7
Si
4
Sb
(e) Mg
8
Si
3
Sb
(f) Mg
8
Si
4
Sb
(g) Mg
6
Si
4
YSb
(h) Mg
7
Si
3
YSb
(i) Mg
7
Si
4
YSb
(j) Mg
8
Si
2
YSb
(k) Mg
7
Si
3
YSb
(l) Mg
8
Si
3
YSb
(m) Mg
8
Si
4
YSb
(n) Mg
7
Si
4
YSb
(o) Mg
8
Si
3
YSb