Crystal structure of potassium titanyl phosphate doped with zirconium
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CTURE OF INORGANIC COMPOUNDS
Crystal Structure of Potassium Titanyl Phosphate Doped with Zirconium O. A. Alekseevaa, A. P. Dudkaa, N. I. Sorokinaa, A. Pietraszkob, M. Kh. Rabadanova, E. I. Agapovac, V. I. Voronkovac, and V. I. Simonova a
Shubnikov Institute of Crystallography, Russian Academy of Sciences, Leninskiœ pr. 59, Moscow, 119333 Russia e-mail: [email protected] b Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Okolna 2, Wroc l aw, 50-950 Poland c Lomonosov Moscow State University, Leninskie gory, Moscow, 119992 Russia Received July 18, 2006
Abstract—This paper reports on the results of precision X-ray structural investigations of single crystals of the compounds KTi0.96Zr0.04OPO4 (at 293 K) and KTi0.97Zr0.03OPO4 (at 293 and 105 K). No significant splitting of the positions occupied by potassium atoms is revealed. This result is in agreement with a considerable decrease in the electrical conductivity of potassium titanyl phosphate KTiOPO4 (KTP) crystals doped with zirconium (KTP : Zr) as compared to crystals of undoped potassium titanyl phosphate. It is established that the difference between the Ti–O bond lengths in chains formed by titanium octahedra is not a single structural parameter responsible for the nonlinear optical properties of crystals in this series. PACS numbers: 61.66.Fn, 42.70.Mp, 66.30.Dn, 77.80.Bh DOI: 10.1134/S106377450704013X
INTRODUCTION Potassium titanyl phosphate KTiOPO4 (KTP) and other representatives of the large family headed by this compound have attracted the particular attention of researchers owing to the remarkable combination of their ferroelectric, superionic, and nonlinear optical properties. As a rule, new compounds of the given crystal family have been synthesized with the aim of searching for crystals with improved physical characteristics and gaining deeper insight into the nature of the specific structural features responsible for the unique physical properties of these crystals [1]. Among the excellent physical properties exhibited by solid solutions based on potassium titanyl phosphate, the nonlinear optical characteristics that determine the intensity of the second harmonic generation (SHG) signal under laser irradiation of these materials are of primary interest. It has been experimentally established that the intensity of SHG signals for KTP crystals under irradiation with the use of a Nd-doped yttrium–aluminum garnet laser is higher than the intensity of SHG signals for of quartz crystals by a factor of approximately 400, all other factors being the same. However, the highest SHG signal intensity has been observed for the KTiOAsO4 (KTA) crystals which remain isostructural to the KTP crystals upon complete substitution of arsenic for phosphorus [2]. Moreover, it has been found that, upon partial substitution of niobium for titanium, the SHG signal intensity increases
by 20% as compared to that of the initial KTP crystals [3]. According to [4, 5], partial substitution of zirconium for titanium leads to an increase in the SHG
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