Phenomenological thermodynamic potential for CaTiO 3 single crystals

Yijia Gu, Karin Rabe, Eric Bousquet, Venkatraman Gopalan, Long Qing Chen

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44 Scopus citations


The antiferrodistortive (AFD) structural transitions of calcium titanate (CaTiO 3) 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 CaTiO 3 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) CaTiO 3 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.

Original languageEnglish (US)
Article number064117
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number6
StatePublished - Feb 23 2012

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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