Theoretical studies of nonlinear optical properties of compounds K(4)Ln(2)(CO3)(3)F-4 (Ln=Pr, Nd, Sm, Eu, Gd)

Autor(en): Xue, D
Betzler, K
Hesse, H
Lammers, D
Zhang, S
Stichwörter: BOND; COEFFICIENTS; CRYSTAL; KTIOPO4; Physics; Physics, Applied
Erscheinungsdatum: 2000
Herausgeber: AMER INST PHYSICS
Journal: JOURNAL OF APPLIED PHYSICS
Volumen: 87
Ausgabe: 6
Startseite: 2849
Seitenende: 2852
Zusammenfassung: 
K(4)Ln(2)(CO3)(3)F-4 (Ln=Pr, Nd, Sm, Eu, Gd) is a special type of frequency doubling compound, whose crystal structure exhibits a scarcity of fluorine ions. This leads to two different coordination polyhedrons in the general position of K(2) atoms: [K(2)O6F(1)(2)F(2)] and [K(21)O6F(1)(2)] in a 2/1 ratio. The chemical bonding structures of all constituent atoms of the compound K4Gd2(CO3)(3)F-4 (KGCOF) are comprehensively studied; moreover, the relationship between the chemical bonding structure and the nonlinear optical (NLO) properties is investigated from the chemical bond viewpoint. The theoretical prediction of the NLO tensor coefficient d(11) of KGCOF is in agreement with experimental observation. Theoretical analyses show that the nonlinearity of this crystal type mainly originates from K-O bonds. In addition, the correlation between the NLO tensor d(11) and the refractive index n(0) of KGCOF is discussed. (C) 2000 American Institute of Physics. [S0021-8979(00)07506-X].
ISSN: 00218979
DOI: 10.1063/1.372267

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