Phys. Rev. B 72, 012304 (2005) [4 pages]Phonon structure in SrTiO3 under finite electric fields: First-principles density functional approachReceived 16 May 2005; published 22 July 2005 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 SrTiO3, 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. © 2005 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.72.012304
DOI:
10.1103/PhysRevB.72.012304
PACS:
63.20.Dj, 77.22.−d, 77.65.−j, 77.84.Dy
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