Elastic anisotropy and thermal properties of Zr-Al-N ternary nitrides using first-principles explorations

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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Self-Consistent Equations Including Exchange and Correlation Effects

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

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First-principles simulation: ideas, illustrations and the CASTEP code

Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

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The Elastic Behaviour of a Crystalline Aggregate

R. Hill · Proceedings of the Physical Society Section A · 1952 · 11.2K citations

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Necessary and sufficient elastic stability conditions in various crystal systems

Félix Mouhat, François‐Xavier Coudert · Physical Review B · 2014 · 4.8K citations · Full text

Natural Sciences, Materials Science, Physics +17