Chin. Phys. Lett.  2009, Vol. 26 Issue (1): 016801    DOI: 10.1088/0256-307X/26/1/016801
CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
Giant Static Dielectric Constant of Strained PbTiO3
WANG Yuan-Xu
Institute for Computational Materials Science, School of Physics and Electronics, Henan University, Kaifeng 475004
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WANG Yuan-Xu 2009 Chin. Phys. Lett. 26 016801
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Abstract First-principles density functional perturbation calculations are employed to study the dielectric and piezoelectric properties of strained tetragonal PbTiO3. Lattice distortion, static dielectric constant, Born effective charge, zone-centre phonons, and piezoelectric constant are obtained. For the strained tetragonal PbTiO3, we obtain a giant static dielectric constant (3600) under a strain 0.77%. Moreover, the calculated piezoelectric constant e15 of strained PbTiO3 reaches about 203C/m2 which is about 20 times of that of unstrained system. The giant static dielectric constant is mainly due to the softening of the lowest-frequency phonon mode and the reduce of Ti-O bond length. This work demonstrates a route to a giant static dielectrics for electrically microwave and other devices.
Keywords: 68.35.Bs      68.35.Md      68.47.Gh     
Received: 12 September 2008      Published: 24 December 2008
PACS:  68.35.Bs  
  68.35.Md (Surface thermodynamics, surface energies)  
  68.47.Gh (Oxide surfaces)  
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https://cpl.iphy.ac.cn/10.1088/0256-307X/26/1/016801       OR      https://cpl.iphy.ac.cn/Y2009/V26/I1/016801
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WANG Yuan-Xu
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