Phonon in SrTiO3 under finite electric fields
Ivan I. Naumov, Huaxiang Fu
Abstract
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 SrTiO3, 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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