Concepedia

Line-broadening effects in the powder infrared spectrum of apatite

Etienne Balan, Simon Delattre, Damien Roche, Loïc Ségalen, Guillaume Morin, Maxime Guillaumet, Marc Blanchard, Michele Lazzeri, Christian Brouder, Ekhard K. H. Salje

Physics and Chemistry of Minerals · 2010 · 77 citations · 43 references

DOI

Concepts

References

43

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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Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory

Xavier Gonze, Changyol Lee · Physical review. B, Condensed matter · 1997 · 3.4K citations

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Soft-mode spectroscopy: Experimental studies of structural phase transitions

J. F. Scott · Reviews of Modern Physics · 1974 · 818 citations

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