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arxiv: cond-mat/0409330 · v1 · submitted 2004-09-13 · ❄️ cond-mat.mtrl-sci

Phonon in SrTiO₃ under finite electric fields

classification ❄️ cond-mat.mtrl-sci
keywords electricfieldsfinitephononunderapproachsrtioanomalous
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We propose an efficient approach within the density-functional theory to determine the phonon structure of infinite solids under finite electric fields. We apply this approach to technological SrTiO$_3$, predicting many unusual properties--including a giant frequency shift, anomalous piezoelectric response, as well as striking dielectric tunability. A microscopic understanding for individual phonon modes under finite electric fields is also provided.

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