Density Functional Theory Predictions of the Nonlinear Optical Properties in alpha-quartz type Germanium Dioxide

Patrick Hermet (1) , Guillaume Fraysse (1) , Adrien Lignie (1) , Pascale Armand (1) , Philippe Papet (1)

1 ICGM ICMMM - Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier

Mots clés: ONL; single crystal; Raman; GeO2

Domaines: Matériaux; Science des matériaux [cond-mat.mtrl-sci]; Chimie théorique et/ou physique

Patrick Hermet, Guillaume Fraysse, Adrien Lignie, Pascale Armand, Philippe Papet. Density Functional Theory Predictions of the Nonlinear Optical Properties in alpha-quartz type Germanium Dioxide. Journal of Physical Chemistry C, 2012, 116, pp.8692-8698. ⟨10.1021/jp300855q⟩. ⟨hal-00712851⟩