Concepedia

First-principles investigation on the novel half-Heusler VXTe (X=Cr, Mn, Fe, and Co) alloys for spintronic and thermoelectric applications

M. A. Sattar, Mehreen Javed, Najwa Al Bouzieh, Maamar Benkraouda, Noureddine Amrane

Materials Science in Semiconductor Processing · 2022 · 31 citations · 74 references

DOI

Concepts

References

74

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

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

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<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1994 · 22.7K citations

, , +17

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

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First principles phonon calculations in materials science

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

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