New Members of SHG Active Dugganite Family, A(3)BC(3)D(2)O(14) (A = Ba, Pb; B = Te, Sb; C = Al, Ga, Fe, Zn; D = Si, Ge, P, V): Synthesis, Structure, and Materials Properties

Bhim, Anupam and Zhang, Weiguo and Halasyamani, P Shiv and Gopalakrishnan, Jagannatha and Natarajan, Srinivasan (2019) New Members of SHG Active Dugganite Family, A(3)BC(3)D(2)O(14) (A = Ba, Pb; B = Te, Sb; C = Al, Ga, Fe, Zn; D = Si, Ge, P, V): Synthesis, Structure, and Materials Properties. In: INORGANIC CHEMISTRY, 58 (13). pp. 8560-8569.

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Abstract

A family of compounds, A(3)BC(3)D(2)O(14) (A = Ba, Pb; B = Te, Sb; C = Al, Ga, Fe, Zn; D = Si, Ge, P, V), with the Dugganite structure was prepared employing traditional solid-state chemistry methods. PXRD and Rietveld refinement studies indicate that the compounds are stabilized in P321 space group (no. 150). The compounds are found to be SHG active with values ranging from 1.9 to 15.0 x KDP. The compounds exhibit high dielectric constants and low loss in our studies. The noncentrosymmetry related properties of the new Dugganites were understood by band structure calculations. We also explored the present Dugganite-structured oxides for the development of new inorganic colored materials by substituting Co2+, Ni2+, Cu2+, and Fe3+ in place of Zn2+. Thus, substitution of Co2+ and Fe3+ together tunes the blue color of the cobalt compound to blue-green color arising from metal-to-metal charge transfer (MMCT) of Fe3+ and Co2+ ions. The tetrahedrally coordinated Ni2+ in the Dugganite imparts a magenta color.

Item Type:	Journal Article
Publication:	INORGANIC CHEMISTRY
Publisher:	AMER CHEMICAL SOC
Additional Information:	Copyright of this article belongs to AMER CHEMICAL SOC
Keywords:	GENERALIZED GRADIENT APPROXIMATION; NONLINEAR-OPTICAL MATERIALS; METAL CHARGE-TRANSFER; 2ND-HARMONIC GENERATION; NONCENTROSYMMETRIC MATERIALS; ELECTRONIC-STRUCTURE; CRYSTAL-STRUCTURE; OXIDES; POLAR; BLUE
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	18 Nov 2019 06:19
Last Modified:	18 Nov 2019 06:19
URI:	http://eprints.iisc.ac.in/id/eprint/63313

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