Concepedia

Revealing the atomic-scale structure and the fracture mechanism of the α-Al2O3/γ-Fe ceramic-metal interface

Renwei Li, Qicheng Chen, Zilong Zhang, Liang Ouyang, Yingjin Zhang, Binjian Nie, Yulong Ding

Journal of Alloys and Compounds · 2021 · 22 citations · 45 references

DOI

Concepts

References

45

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

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First principles methods using CASTEP

Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text

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Relaxation of Crystals with the Quasi-Newton Method

Bernd Pfrommer, Michel Côté, Steven G. Louie et al. · Journal of Computational Physics · 1997 · 3K citations

, , +10

Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials

Kari Laasonen, Alfredo Pasquarello, Roberto Car et al. · Physical review. B, Condensed matter · 1993 · 1.4K citations · Full text

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