| CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
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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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| Cite this article: |
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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.
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| Keywords:
68.35.Bs
68.35.Md
68.47.Gh
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Received: 12 September 2008
Published: 24 December 2008
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