X-Ray diffraction study of KTiOPO{sub 4} single crystals doped with hafnium

Journal Article · Sun May 15 04:00:00 EDT 2011 · Crystallography Reports

DOI:https://doi.org/10.1134/S1063774511030217· OSTI ID:22054290

Verin, I A; Sorokina, N I; Alekseeva, O A ^[1]; Orlova, 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, Faculty of Physics (Russian Federation)

Single crystals of KTi{sub 1-x}Hf{sub x}OPO{sub 4} (x = 0.015(2), 0.035(1), and 0.128(1) are reinvestigated by precision X-ray diffraction at room temperature. It is found that the implantation of hafnium atoms in the crystal structure of KTiOPO{sub 4} does not lead to significant changes in the framework and affects only the positions of the potassium atoms in the channel. Our studies reveal the displacements of the potassium atoms from their main and additional positions in the structure of pure KTP in all three structures studied. The largest displacements from the K1 Prime and K1 Double-Prime additional positions are observed in the structure with x = 0.035. At this hafnium concentration, the occupancy of the main positions of potassium atoms decreases and the occupancy of the additional positions increases in relation to those in KTP. This redistribution of potassium atoms enhances the nonuniformity of distribution of the electron density in the vicinity of their positions, which is probably responsible for the increase in the nonlinear susceptibility of KTP crystals that contain 3.5% hafnium in relation to crystals of pure KTP.

• OSTI ID: 22054290
• Journal Information: Crystallography Reports, Journal Name: Crystallography Reports Journal Issue: 3 Vol. 56; ISSN 1063-7745; ISSN CYSTE3
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ACCURACY
CRYSTAL STRUCTURE
DISTRIBUTION
DOPED MATERIALS
ELECTRON DENSITY
HAFNIUM
MONOCRYSTALS
PHOSPHATES
POTASSIUM COMPOUNDS
TEMPERATURE RANGE 0273-0400 K
TITANIUM COMPOUNDS
X-RAY DIFFRACTION