Chin. Phys. Lett.  2011, Vol. 28 Issue (4): 046101    DOI: 10.1088/0256-307X/28/4/046101
CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
Pressure-Induced Anomalous Phase Transitions and Colossal Enhancements of Piezoelectricity in Ground-State BaTiO3
DUAN Yi-Feng**, QIN Li-Xia, SHI Li-Wei, TANG Gang
Department of Physics, China University of Mining and Technology, Xuzhou 221116
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DUAN Yi-Feng, QIN Li-Xia, SHI Li-Wei et al  2011 Chin. Phys. Lett. 28 046101
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Abstract Rhombohedral BaTiO3 under hydrostatic pressure is investigated by first principles calculations. Our results show that just like tetragonal perovskites, as pressure increases, this material first becomes para-electric at low pressures, then transfers to another ferroelectric phase at much higher pressures. We also find a giant enhancement of piezoelectricity near the phase-transition regions, due to large atomic displacements along different directions in response to the applied pressures.
Keywords: 61.50.Ks      64.60.-i      77.65.-j     
Received: 24 October 2010      Published: 29 March 2011
PACS:  61.50.Ks (Crystallographic aspects of phase transformations; pressure effects)  
  64.60.-i (General studies of phase transitions)  
  77.65.-j (Piezoelectricity and electromechanical effects)  
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https://cpl.iphy.ac.cn/10.1088/0256-307X/28/4/046101       OR      https://cpl.iphy.ac.cn/Y2011/V28/I4/046101
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DUAN Yi-Feng
QIN Li-Xia
SHI Li-Wei
TANG Gang
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