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

Journal Article · Thu Sep 15 00:00:00 EDT 2016 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/J.JSSC.2016.06.011· OSTI ID:22584195

Suleimanov, E. V.; Yavetskiy, R. P. ^[1]; Fukin, G. K. ^[2]; Boryakov, A. V. ^[1]; Borisov, E. N.; Borisov, E. V. ^[3]; Surodin, S. I.; Saharov, N. V. ^[1]

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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)

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.

• OSTI ID: 22584195
• Journal Information: Journal of Solid State Chemistry, Vol. 241; Other Information: Copyright (c) 2016 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

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