Concepedia

Structural and electronic properties of low-index surfaces of NbAl3 intermetallic with first-principles calculations

Zhen Jiao, Qi‐Jun Liu, Fusheng Liu, Bin Tang

Applied Surface Science · 2017 · 40 citations · 31 references

DOI

Concepts

References

31

Special points for Brillouin-zone integrations

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

, , +6

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

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

, , +13

First principles methods using CASTEP

Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text

, , +17

More accurate generalized gradient approximation for solids

Zhigang Wu, R. E. Cohen · Physical Review B · 2006 · 2.3K citations · Full text

, , +14

Surface energy and work function of elemental metals

H. L. Skriver, N. M. Rosengaard · Physical review. B, Condensed matter · 1992 · 1.3K citations · Full text

, , +17