Concepedia

Energy band gap and optical properties of lithium niobate from ab initio calculations

Souheyla Mamoun, A.E. Merad, L. Guilbert

Computational Materials Science · 2013 · 80 citations · 28 references

DOI

Concepts

References

28

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

, , +16

Special points for Brillouin-zone integrations

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

, , +6

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15

Linear methods in band theory

OK Andersen · Physical review. B, Solid state · 1975 · 6.5K citations · Full text

, , +11

Density-Functional Theory of the Energy Gap

L. J. Sham, M. Schlüter · Physical Review Letters · 1983 · 1.9K citations

, , +14