Concepedia

A first-principles study on structural and electronic properties of Mo2C

Hailiang Liu, Jingchuan Zhu, Zhonghong Lai, Rongda Zhao, Dong He

Scripta Materialia · 2009 · 57 citations · 16 references

DOI

Concepts

References

16

Implementation of gradient-corrected exchange-correlation potentials in Car-Parrinello total-energy calculations

J. A. White, David M. Bird · Physical review. B, Condensed matter · 1994 · 1.2K citations

, , +10

Density-functional study of bulk and surface properties of titanium nitride using different exchange-correlation functionals

M. Marlo, Victor Milman · Physical review. B, Condensed matter · 2000 · 435 citations

, , +17

Mechanical stability of possible structures of PtN investigated using first-principles calculations

Shilpee Patil, S. V. Khare, Blair Tuttle et al. · Physical Review B · 2006 · 200 citations

, , +17

Electronic structure and bonding of ultralight LiMg

Bhagawan Sahu · Materials Science and Engineering B · 1997 · 166 citations

, , +14

Ternary site preference energies, size misfits and solid solution hardening in NiAl and FeAl

N. I. Medvedeva, Yu. N. Gornostyrev, D. L. Novikov et al. · Acta Materialia · 1998 · 156 citations

, , +11