Concepedia

Structural stability, phase transition, and mechanical and electronic properties of transition metal nitrides MN (M=Tc, Re, Os, and Ir): First-principles calculations

Yachun Wang, Tiankai Yao, Hui Li, Jie Lian, Jihui Li, Zhiping Li, Jingwu Zhang, Huiyang Gou

Computational Materials Science · 2012 · 25 citations · 38 references

DOI

Concepts

References

38

Special points for Brillouin-zone integrations

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

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Accurate and simple analytic representation of the electron-gas correlation energy

John P. Perdew, Yue Wang · Physical review. B, Condensed matter · 1992 · 24.9K citations

, , +14

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.9K citations

, , +13

Self-interaction correction to density-functional approximations for many-electron systems

John P. Perdew, Alex Zunger · Physical review. B, Condensed matter · 1981 · 20.8K citations · Full text

, , +16

Ground State of the Electron Gas by a Stochastic Method

David M. Ceperley, B. J. Alder · Physical Review Letters · 1980 · 14.2K citations

, , +16