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Title: Single crystal structure and SHG of defect pyrochlores CsB{sup V}MoO{sub 6} (B{sup V}=Nb,Ta)

Abstract

The crystal structure and non-linear optical properties of CsNbMoO{sub 6} and CsTaMoO{sub 6} defect pyrochlores have been studied. The single crystals of these compounds grown by the flux method possess an octahedral faceting and reach up to 50 µm in size. The crystal structures of CsB{sup V}MoO{sub 6} (B{sup V}=Nb, Ta) were investigated by X-ray diffraction method. Both compounds crystallize in the cubic symmetry with noncentrosymmetric space group F-43m. The second harmonic generation of CsNbMoO{sub 6} and CsTaMoO{sub 6}was found to be 1.6×10{sup −2} and 8.5×10{sup −4} of lithium niobate, correspondingly. It has been determined that distortions of [MO{sub 6}] polyhedra (M=Nb, Ta, Mo) as well as polarizability and covalency of Nb–O and Ta–O bonds have a great effect on the second harmonic generation. - Highlights: • CsNbMoO{sub 6} and CsTaMoO{sub 6} homogeneous single crystals have been grown. • The crystal structure of CsTaMoO{sub 6} has been studied. • Nonlinear optical properties of CsNbMoO{sub 6} and CsTaMoO{sub 6} have been found. • The microscopic origin of the second harmonic generation (SHG) response have been identified.

Authors:
 [1]; ;  [1];  [2];  [1]; ;  [3]; ;  [1]
  1. Lobachevsky State University of Nizhny Novgorod, Nizhny Novgorod (Russian Federation)
  2. Razuvaev Institute of Organometallic Chemistry of RAS, Nizhny Novgorod (Russian Federation)
  3. Saint-Petersburg State University, Saint-Petersburg (Russian Federation)
Publication Date:
OSTI Identifier:
22584195
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 241; Other Information: Copyright (c) 2016 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CRYSTAL STRUCTURE; DIFFRACTION METHODS; HARMONIC GENERATION; LITHIUM; MONOCRYSTALS; NIOBATES; NONLINEAR OPTICS; OPTICAL PROPERTIES; POLARIZABILITY; PYROCHLORE; SPACE GROUPS; X RADIATION; X-RAY DIFFRACTION

Citation Formats

Fukina, D.G., E-mail: dianafuk@yandex.ru, Suleimanov, E.V., Yavetskiy, R.P., Fukin, G.K., Boryakov, A.V., Borisov, E.N., Borisov, E.V., Surodin, S.I., and Saharov, N.V.. Single crystal structure and SHG of defect pyrochlores CsB{sup V}MoO{sub 6} (B{sup V}=Nb,Ta). United States: N. p., 2016. Web. doi:10.1016/J.JSSC.2016.06.011.
Fukina, D.G., E-mail: dianafuk@yandex.ru, Suleimanov, E.V., Yavetskiy, R.P., Fukin, G.K., Boryakov, A.V., Borisov, E.N., Borisov, E.V., Surodin, S.I., & Saharov, N.V.. Single crystal structure and SHG of defect pyrochlores CsB{sup V}MoO{sub 6} (B{sup V}=Nb,Ta). United States. doi:10.1016/J.JSSC.2016.06.011.
Fukina, D.G., E-mail: dianafuk@yandex.ru, Suleimanov, E.V., Yavetskiy, R.P., Fukin, G.K., Boryakov, A.V., Borisov, E.N., Borisov, E.V., Surodin, S.I., and Saharov, N.V.. 2016. "Single crystal structure and SHG of defect pyrochlores CsB{sup V}MoO{sub 6} (B{sup V}=Nb,Ta)". United States. doi:10.1016/J.JSSC.2016.06.011.
@article{osti_22584195,
title = {Single crystal structure and SHG of defect pyrochlores CsB{sup V}MoO{sub 6} (B{sup V}=Nb,Ta)},
author = {Fukina, D.G., E-mail: dianafuk@yandex.ru and Suleimanov, E.V. and Yavetskiy, R.P. and Fukin, G.K. and Boryakov, A.V. and Borisov, E.N. and Borisov, E.V. and Surodin, S.I. and Saharov, N.V.},
abstractNote = {The crystal structure and non-linear optical properties of CsNbMoO{sub 6} and CsTaMoO{sub 6} defect pyrochlores have been studied. The single crystals of these compounds grown by the flux method possess an octahedral faceting and reach up to 50 µm in size. The crystal structures of CsB{sup V}MoO{sub 6} (B{sup V}=Nb, Ta) were investigated by X-ray diffraction method. Both compounds crystallize in the cubic symmetry with noncentrosymmetric space group F-43m. The second harmonic generation of CsNbMoO{sub 6} and CsTaMoO{sub 6}was found to be 1.6×10{sup −2} and 8.5×10{sup −4} of lithium niobate, correspondingly. It has been determined that distortions of [MO{sub 6}] polyhedra (M=Nb, Ta, Mo) as well as polarizability and covalency of Nb–O and Ta–O bonds have a great effect on the second harmonic generation. - Highlights: • CsNbMoO{sub 6} and CsTaMoO{sub 6} homogeneous single crystals have been grown. • The crystal structure of CsTaMoO{sub 6} has been studied. • Nonlinear optical properties of CsNbMoO{sub 6} and CsTaMoO{sub 6} have been found. • The microscopic origin of the second harmonic generation (SHG) response have been identified.},
doi = {10.1016/J.JSSC.2016.06.011},
journal = {Journal of Solid State Chemistry},
number = ,
volume = 241,
place = {United States},
year = 2016,
month = 9
}
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