Phonon structure inunder finite electric fields: First-principles density functional approach
- 22 July 2005
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 72 (1), 012304
- https://doi.org/10.1103/physrevb.72.012304
Abstract
A first-principles approach within the density-functional theory is proposed to determine the phonon structure of infinite solids under finite electric fields. The approach is applied to perovskite , confirming the existence of giant field-induced frequency shifts. Our theory further predicts a striking piezoelectric response as well as a wide-range dielectric tunability. A microscopic understanding for individual phonon modes under finite electric fields is also provided.
Keywords
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