Concepedia

First-principles insights on the A15 phase in Ti-Se system

Mengxin Yang, Bohan Cao, Jiajin Chen, Min Liang, Yuanming Sun, Defang Duan, Fubo Tian

Physics Letters A · 2023 · 10 citations · 18 references

DOI

Concepts

References

18

Generalized Gradient Approximation Made Simple

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

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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

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier et al. · APL Materials · 2013 · 12.7K citations · Full text

, , +17

First principles phonon calculations in materials science

Atsushi Togo, Isao Tanaka · Scripta Materialia · 2015 · 11.3K citations · Full text

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