Concepedia

Tuning figure of merit in Na doped nanocrystalline PbSnTeSe high entropy alloy via band engineering

Arun Raphel, P. Vivekanandhan, Arun Kumar Rajasekaran, S. Kumaran

Materials Science in Semiconductor Processing · 2021 · 17 citations · 34 references

DOI

Concepts

References

34

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

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Hybrid functionals based on a screened Coulomb potential

Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof · The Journal of Chemical Physics · 2003 · 18.5K citations

Complex thermoelectric materials

G. Jeffrey Snyder, Eric S. Toberer · Nature Materials · 2008 · 10.7K citations

, , +7

From molecules to solids with the DMol3 approach

B. Delley · The Journal of Chemical Physics · 2000 · 10.7K citations · Full text

, , +20

An all-electron numerical method for solving the local density functional for polyatomic molecules

B. Delley · The Journal of Chemical Physics · 1990 · 10.3K citations · Full text

, , +19