Prediction of 10-fold coordinated TiO2 and SiO2 structures at multimegabar pressures.

Lyle, Matthew J; Pickard, Chris J; Needs, Richard J

Lyle, Matthew J; Pickard, Chris J; Needs, Richard J.

Afiliação

Lyle MJ; Theory of Condensed Matter Group, Cavendish Laboratory, Cambridge CB3 0HE, United Kingdom; and mjl78@cam.ac.uk.
Pickard CJ; Department of Physics & Astronomy, University College London, London WC1E 6BT, United Kingdom.
Needs RJ; Theory of Condensed Matter Group, Cavendish Laboratory, Cambridge CB3 0HE, United Kingdom; and.

Proc Natl Acad Sci U S A ; 112(22): 6898-901, 2015 Jun 02.

Article em En | MEDLINE | ID: mdl-25991859

Palavras-chave

ab initio density functional simulation; multimegabar crystalline phase; silicon dioxide; super-Earth mantle; titanium dioxide

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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: Proc Natl Acad Sci U S A Ano de publicação: 2015 Tipo de documento: Article

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