Structural control over equilibrium silicon and oxygen isotopic fractionation: A first-principles density-functional theory study

Chemical Geology

Volumn 258, Issue 1-2, 2009, Pages 28-37

  Méheut, Merlin ^a   Lazzeri, Michele ^a   Balan, Etienne ^a,b   Mauri, Francesco ^a  

^a UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

^b INSTITUT DE RECHERCHE POUR LE DÉVELOPPEMENT   (France)

Author keywords

DFPT; Enstatite; First principles calculations; Forsterite; Harmonic approximation; Isotopes; Isotopic fractionation; Kaolinite; Lizardite; Oxygen; Phonons; Quartz; Silicate polymerization; Silicon

Indexed keywords

CHEMICAL COMPOSITION; ENSTATITE; FORSTERITE; ISOTOPIC FRACTIONATION; KAOLINITE; LIZARDITE; OXYGEN; POLYMERIZATION; QUARTZ; SILICON;

EID: 57749092854     PISSN: 00092541     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemgeo.2008.06.051     Document Type: Article

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