ListarFacultad de Ciencias Exactas y Naturales y Agrimensura por tema "Ab Initio"

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Ab initio and shell model studies of structural, thermoelastic and vibrational properties of SnO2 under pressure

Casali, Ricardo Antonio; Lasave, Jorge Augusto; Caravaca, María de los Ángeles; Koval, Sergio Fabián; Ponce Altamirano, Claudio Ariel; Migoni, Ricardo Luis (IOP Publishing, 2013)

The pressure dependences of the structural, thermoelastic and vibrational properties of SnO2 in its rutile phase are studied, as well as the pressure-induced transition to a CaCl2-type phase. These studies have been performed ...