Concepedia

Infrared spectroscopic properties of goethite: anharmonic broadening, long-range electrostatic effects and Al substitution

Marc Blanchard, Etienne Balan, P. Giura, Keevin Béneut, Haohao Yi, Guillaume Morin, Carlos Pinilla, Michele Lazzeri, Andrea Floris

Physics and Chemistry of Minerals · 2013 · 33 citations · 57 references

DOI

Concepts

References

57

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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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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Anharmonic effects in light scattering due to optical phonons in silicon

M. Bałkanski, R. F. Wallis, E. Haro · Physical review. B, Condensed matter · 1983 · 1.6K citations

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