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.
Y. Gu et al., "Phenomenological Thermodynamic Potential for CaTiO₃ Single Crystals," Physical Review B - Condensed Matter and Materials Physics, vol. 85, no. 6, American Physical Society (APS), Feb 2012.
The definitive version is available at https://doi.org/10.1103/PhysRevB.85.064117
Materials Science and Engineering
Keywords and Phrases
Strontium titanates; Ferroelectricity; Ferroelectric materials
International Standard Serial Number (ISSN)
Article - Journal
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