Phenomenological thermodynamic potential for CaTiO3 single crystals
By Yijia Gu, K. Rabe, Eric Bousquet, Venkatraman Gopalan, Long-qing Chen. 2005
457 citations recorded by the source corpus.
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.
Subfields: Biomedical Engineering, Electronic, Optical and Magnetic Materials, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/a0357a5b45c449e1280dab3b95265569637181fb
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
In Biomedical Engineering
In Electronic, Optical and Magnetic Materials
In Materials Chemistry
Citations in the corpus
- Phase-field modeling of crack propagation in piezoelectric and ferroelectric materials with different electromechanical crack conditions (2012, background): “This potential includes only an eight-order term as proposed by Zhang and Bhattacharya (2005) and it can be improved by adding other high order terms to reproduce the dielectric behavior of barium titanate single crystals in a more accurate way (Li et al., 2005; Wang et al., 2007).”