Line-broadening effects in the powder infrared spectrum of apatite

Physics and Chemistry of Minerals

Volumn 38, Issue 2, 2011, Pages 111-122

  Balan, Etienne ^a   Delattre, Simon ^a   Roche, Damien ^b   Segalen, Loïc ^b   Morin, Guillaume ^a   Guillaumet, Maxime ^a   Blanchard, Marc ^a   Lazzeri, Michele ^a   Brouder, Christian ^a   Salje, Ekhard K H ^c  

^a UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

^b SORBONNE UNIVERSITÉ   (France)

^c UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Anharmonicity; Apatite; First principles calculations; Infrared spectroscopy

Indexed keywords

APATITE; CALCULATIONS; CRYSTALLINITY; DIELECTRIC PROPERTIES; ELECTROSTATICS; HYDROXYAPATITE; INFRARED SPECTROSCOPY; LIGHT ABSORPTION; LINEWIDTH; TEMPERATURE DISTRIBUTION;

ANHARMONIC COUPLINGS; ANHARMONICITIES; ELECTROSTATIC EFFECT; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; HOMOGENEOUS BROADENING; SYNTHETIC FLUORAPATITE; TEMPERATURE DEPENDENCE;

DENSITY FUNCTIONAL THEORY;

ABSORPTION; APATITE; CRYSTALLINITY; DIELECTRIC PROPERTY; FLUORAPATITE; INFRARED SPECTROSCOPY;

EID: 79251599241     PISSN: 03421791     EISSN: 14322021     Source Type: Journal    
DOI: 10.1007/s00269-010-0388-x     Document Type: Article

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