Incorporation of water in iron-free ringwoodite: A first-principles study

American Mineralogist

Volumn 94, Issue 1, 2009, Pages 83-89

  Blanchard, Marc ^a,b   Balan, Etienne ^a,b   Wright, Kate ^c  

^a INSTITUT DE RECHERCHE POUR LE DÉVELOPPEMENT   (France)

^b UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

^c CURTIN UNIVERSITY   (Australia)

Author keywords

DFT; Hydrogen; Infrared spectroscopy; Mg2sio4 spinel; Ringwoodite

Indexed keywords

ABSORPTION SPECTROSCOPY; CALCULATIONS; DEFECTS; DENSITY FUNCTIONAL THEORY; HYDROGEN; INFRARED SPECTROSCOPY; IRON; MAGNESIUM; PROTONATION; SILICON;

EMPIRICAL CORRELATIONS; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; MG2SIO4; O-H STRETCHING BANDS; RINGWOODITE; TETRAHEDRAL SITES; WATER CONCENTRATIONS;

SILICON COMPOUNDS;

ABSORPTION; HYDROXYL RADICAL; INFRARED SPECTROSCOPY; PRESSURE; RINGWOODITE; WATER;

EID: 67650422592     PISSN: 0003004X     EISSN: None     Source Type: Journal    
DOI: 10.2138/am.2009.3020     Document Type: Article

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