Structural reasons for the nonlinear optical properties of KTi{sub 0.96}Zr{sub 0.04}OPO{sub 4} single crystals

Journal Article · Sun Mar 15 04:00:00 EDT 2009 · Crystallography Reports

DOI:https://doi.org/10.1134/S1063774509020096· OSTI ID:22050854

Verin, I A; Sorokina, N I; Alekseeva, O A ^[1]; Agapova, E I; Voronkova, V I ^[2]

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1. Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)
2. Moscow State University (Russian Federation)

This paper reports on the results of the precision X-ray structural investigations of KTi{sub 0.96}Zr{sub 0.04}OPO{sub 4} single crystals at room temperature. It is established that the incorporation of zirconium atoms into the structure of KTiOPO{sub 4} (KTP) crystals does not lead to substantial changes in the framework structure and results only in an insignificant decrease in the scatter of the distances in the PO{sub 4} tetrahedra and the formation of more symmetric (TiZr)O{sub 6} octahedra as compared to the TiO{sub 6} octahedra. However, the incorporation of zirconium atoms into the KTP structure is accompanied by the redistribution of the electron density in the crystal as a whole, so that the electron density increases in the region of the positions occupied by the potassium atoms. This changes the nonlinear optical properties of the given series of crystals, which are estimated from the intensity of the second harmonic generation signals.

• OSTI ID: 22050854
• Journal Information: Crystallography Reports, Journal Name: Crystallography Reports Journal Issue: 2 Vol. 54; ISSN 1063-7745; ISSN CYSTE3
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ELECTRON DENSITY
HARMONIC GENERATION
MONOCRYSTALS
NONLINEAR OPTICS
OPTICAL PROPERTIES
PHOSPHATES
POTASSIUM COMPOUNDS
SYMMETRY
TEMPERATURE RANGE 0273-0400 K
TITANIUM COMPOUNDS
ZIRCONIUM COMPOUNDS