Concepedia

Theoretical study of OH-defects in pure enstatite

Etienne Balan, Marc Blanchard, Haohao Yi, Jannick Ingrin

Physics and Chemistry of Minerals · 2012 · 20 citations · 48 references

DOI

Concepts

References

48

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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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi, Stefano Baroni, Nicola Bonini et al. · Journal of Physics Condensed Matter · 2009 · 28.8K citations · Full text

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Phonons and related crystal properties from density-functional perturbation theory

Stefano Baroni, Stefano de Gironcoli, Andrea Dal Corso et al. · Reviews of Modern Physics · 2001 · 9.8K citations · Full text

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Bond-valence parameters obtained from a systematic analysis of the Inorganic Crystal Structure Database

I. D. Brown, D. Altermatt · Acta Crystallographica Section B Structural Science · 1985 · 9.4K citations

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Water in Earth's Mantle: The Role of Nominally Anhydrous Minerals

David Bell, George R. Rossman · Science · 1992 · 954 citations

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