Ferroelectric Phase Transition in Barium Titanate Revisited with Ab Initio Molecular Dynamics

The ferroelectric phase transition of the perovskite barium titanate as well as its technical importance regarding the switching of respective polar properties is well known and has been thoroughly studied, both experimentally and on theoretical grounds. While details about the phase diagram as well...

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Bibliographic Details
Main Authors: Christian Ludt, Dirk C. Meyer, Matthias Zschornak
Format: Article
Language:English
Published: MDPI AG 2024-02-01
Series:Materials
Subjects:
Online Access:https://www.mdpi.com/1996-1944/17/5/1023