Concepedia

Detailed DFT studies of the band profiles and optical properties of antiperovskites SbNCa3 and BiNCa3

M. Bilal, Iftikhar Ahmad, H. A. Rahnamaye Aliabad, S. Jalali-Asadabadi

Computational Materials Science · 2014 · 24 citations · 19 references

DOI

Concepts

References

19

Self-Consistent Equations Including Exchange and Correlation Effects

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

, , +15

The Compressibility of Media under Extreme Pressures

F. D. Murnaghan · Proceedings of the National Academy of Sciences · 1944 · 8.6K citations · Full text

, , +10

Linear methods in band theory

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

, , +11

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

Fabien Tran, Peter Blaha · Physical Review Letters · 2009 · 5.9K citations

, , +17

A simple effective potential for exchange

Axel D. Becke, Erin R. Johnson · The Journal of Chemical Physics · 2006 · 1.6K citations

, , +6