Concepedia

Phase stability, structural and elastic properties of C15-type Laves transition-metal compounds MCo2 from first-principles calculations

Shuai Chen, Yong Sun, Yonghua Duan, Bo Huang, Mingjun Peng

Journal of Alloys and Compounds · 2015 · 139 citations · 47 references

DOI

Concepts

References

47

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

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Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

, , +6

Physical Properties of Crystals

Materials Today · 2007 · 7.8K citations · Full text

, , +14

Theoretical predictions of structure and related properties of intermetallics

D. G. Pettifor · Materials Science and Technology · 1992 · 2K citations

, , +17

Microscopic theory of hardness and design of novel superhard crystals

Yongjun Tian, Bo Xu, Zhisheng Zhao · International Journal of Refractory Metals and Hard Materials · 2012 · 1.4K citations

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