| A3V5O14 (A = K+, Rb+, or Tl+), new polar oxides with a tetragonal tungsten bronze related structural topology: synthesis, structure, and functional properties. | |
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MedLine Citation:
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PMID: 20608660 Owner: NLM Status: PubMed-not-MEDLINE |
Abstract/OtherAbstract:
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Three polar noncentrosymmetric (NCS) oxide materials, A(3)V(5)O(14) (A = K(+), Rb(+), or Tl(+)), have been synthesized by hydrothermal and conventional solid state techniques. Their crystal structures and functional properties (second-harmonic generation, piezoelectricity, and polarization) have been determined. The iso-structural materials exhibit a layered structural topology that consists of corner-sharing VO(4) tetrahedra and VO(5) square pyramids. The layers stack parallel to the c-axis direction and are separated by the K(+), Rb(+), or Tl(+) cations. Powder second-harmonic generation (SHG) measurements using 1064 nm radiation indicate the materials exhibit moderate SHG efficiencies of approximately 100 x alpha-SiO(2). Additional SHG measurements, that is, particle size versus SHG efficiency, indicate the materials are type-I phase-matchable. Converse piezoelectric measurements for K(3)V(5)O(14), Rb(3)V(5)O(14), and Tl(3)V(5)O(14) revealed d(33) values of 28, 22, and 26 pm/V, respectively. Pyroelectric measurements, that is, temperature-dependent polarization measurements, resulted in pyroelectric coefficients of -2.2, -2.9, and -2.8 microC/m(2) x K at 65 degrees C, for K(3)V(5)O(14), Rb(3)V(5)O(14), and Tl(3)V(5)O(14) respectively. Frequency-dependent polarization measurements confirmed that all of the materials are nonferroelectric, consistent with our first principle density functional theory (DFT) electronic structure calculations. Infrared, UV-vis, thermogravimetric, and differential scanning calorimetry measurements were also performed. Crystal data: K(3)V(5)O(14), trigonal, space group P31m (No. 157), a = 8.6970(16) A, c = 4.9434(19) A, V = 323.81(15), and Z = 1; Rb(3)V(5)O(14), trigonal, space group P31m (No. 157), a = 8.7092(5) A, c = 5.2772(7) A, V = 346.65(5), and Z = 1; Tl(3)V(5)O(14), trigonal, space group P31m (No. 157), a = 8.7397(8) A, c = 5.0846(10) A, V = 336.34(8), and Z = 1. |
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Authors:
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Jeongho Yeon; Sang-Hwan Kim; P Shiv Halasyamani |
Publication Detail:
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Type: Journal Article |
Journal Detail:
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Title: Inorganic chemistry Volume: 49 ISSN: 1520-510X ISO Abbreviation: Inorg Chem Publication Date: 2010 Aug |
Date Detail:
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Created Date: 2010-07-29 Completed Date: 2010-11-23 Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 0366543 Medline TA: Inorg Chem Country: United States |
Other Details:
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Languages: eng Pagination: 6986-93 Citation Subset: - |
Affiliation:
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Department of Chemistry, University of Houston, 136 Fleming Building, Houston, Texas 77204-5003, USA. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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