Giant Static Dielectric Constant of Strained PbTiO3 |
| |
| Authors: | WANG Yuan-Xu |
| |
| Affiliation: | Institute for Computational Materials Science, School of Physics and Electronics, Henan University, Kaifeng 475004 |
| |
| 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 |
| 本文献已被 维普 等数据库收录！ |
| 点击此处可从《中国物理快报》浏览原始摘要信息 |
|
点击此处可从《中国物理快报》下载免费的PDF全文 |
|
