Concepedia

Weakening the self-trapping of helium by electron density regulation in WTaVCr high-entropy alloys

Yaxin Zhai, Yuhao Li, Tian-Ren Yang, Shijun Zhao, Fuyang Tian, Limin Liu, Hong-Bo Zhou, Guang-Hong Lü

Scripta Materialia · 2023 · 18 citations · 39 references

DOI

Concepts

References

39

Generalized Gradient Approximation Made Simple

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

, , +16

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

, , +17

Special points for Brillouin-zone integrations

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

, , +6

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

, , +17