Journal
CHEMISTRY OF MATERIALS
Volume 27, Issue 6, Pages 2012-2017Publisher
AMER CHEMICAL SOC
DOI: 10.1021/cm504133e
Keywords
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Funding
- Japan Society for the Promotion of Science (JSPS) [26820291, 26800180, 26106507]
- Japan Synchrotron Radiation Research Institute [2011B3782, 2013A1652, 2013B3615, 2014A3615, 2014A3784]
- Shared User Program of JAEA Facilities [2011B-E03, 2014A-E21]
- Ministry of Education, Culture, Sports, Science and Technology [A-14-AE-0015]
- Grants-in-Aid for Scientific Research [26820291, 26106507, 26800180] Funding Source: KAKEN
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A new PbTiO3-type compound, Bi2ZnVO6, with a giant tetragonal distortion of c/a = 1.26 (a = 3.7869(3) angstrom, c = 4.7660(7) angstrom) was synthesized under high pressure high temperature conditions (9 GPa and 1373 K). A point charge model calculation based on the atomic positions refined by Rietveld analysis of synchrotron X-ray diffraction (SXRD) data gave an electrical ionic polarization of 126 mu C/cm(2), the largest value among PbTiO3-type perovskite compounds. The tetragonality (c/a) decreased with increasing temperature from 100 to 570 K without any trace of a phase transition. Instead, a pressure-induced transition from a polar tetragonal structure to a paraelectric GdFeO3 one accompanied by a 2.4% volume collapse was observed at 6.01 GPa. Bi2ZnVO6 showed paramagnetic behavior with S = 1/2 because of the random distribution of nonmagnetic Zn2+ and magnetic V4+ ions. Transport measurements indicated semiconductivity with an activation energy of 0.43 eV.
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