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Phenomenological Thermodynamic Potential for CaTiO₃ Single Crystals
Physical Review B - Condensed Matter and Materials Physics
  • Yijia Gu, Missouri University of Science and Technology
  • Karin Rabe
  • Eric Bousquet
  • Venkatraman Gopalan
  • Long-Qing Chen

The antiferrodistortive (AFD) structural transitions of calcium titanate (CaTiO3) at ambient pressure have been extensively studied during the last few years. It has been found that none of the AFD polymorphs is polar or ferroelectric. However, it was recently shown theoretically and later experimentally confirmed that a ferroelectric transition in CaTiO3 can be induced by tensile strains. The ferroelectric instability is believed to be strongly coupled to the AFD soft modes. In this paper, we present a complete thermodynamic potential for describing the coupling between the AFD and ferroelectric phase transitions. We analyzed the dependence of transition temperatures on stress and strain condition. Based on this potential, a (001) CaTiO3 thin film diagram was constructed. The results show good agreement with available experimental observations. The strong suppression of ferroelectric transition by the AFD transition is discussed.

Materials Science and Engineering
This work is supported by the NSF MRSEC under Grant No. DMR-0820404 and DMR-0908718.
Keywords and Phrases
  • Strontium titanates,
  • Ferroelectricity,
  • Ferroelectric materials
Document Type
Article - Journal
Document Version
Final Version
File Type
© 2012 American Physical Society (APS), All rights reserved.
Publication Date
Citation Information
Yijia Gu, Karin Rabe, Eric Bousquet, Venkatraman Gopalan, et al.. "Phenomenological Thermodynamic Potential for CaTiO₃ Single Crystals" Physical Review B - Condensed Matter and Materials Physics Vol. 85 Iss. 6 (2012) ISSN: 1098-0121; 1550-235X
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