Concepedia

Valence-band electronic structure and main optical properties of Cu2HgGeTe4: Theoretical simulation within a DFT framework and experimental XPS study

B.V. Gabrelian, A.A. Lavrentyev, Tuan V. Vu, K.F. Kalmykova, L.N. Ananchenko, V.A. Tkach, O.V. Parasyuk, О.Y. Khyzhun

Materials Today Communications · 2020 · 22 citations · 52 references

DOI

Concepts

References

52

Generalized Gradient Approximation Made Simple

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

, , +16

Self-Consistent Equations Including Exchange and Correlation Effects

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

, , +15

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

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

Hybrid functionals based on a screened Coulomb potential

Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof · The Journal of Chemical Physics · 2003 · 19.2K citations

, , +9