Phenomenological thermodynamic potential for CaTiO3 single crystals

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

doi:10.1103/PhysRevB.85.064117

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Article (Scientific journals)

Phenomenological thermodynamic potential for CaTiO3 single crystals

Gu, Yijia; Rabe, Karin; Bousquet, Eric et al.

2012 • In Physical Review. B, Condensed Matter and Materials Physics, 85, p. 064117

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https://hdl.handle.net/2268/164438

DOI
10.1103/PhysRevB.85.064117

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Keywords :

Ferroelectric

Abstract :

[en] 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.

Disciplines :

Physics

Author, co-author :

Gu, Yijia

Rabe, Karin

Bousquet, Eric ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux

Gopalan, Venkatraman

Chen, Long-Qing

Language :

English

Title :

Phenomenological thermodynamic potential for CaTiO3 single crystals

Publication date :

2012

Journal title :

Physical Review. B, Condensed Matter and Materials Physics

ISSN :

1098-0121

eISSN :

1550-235X

Publisher :

American Physical Society, Woodbury, United States - New York

Volume :

Pages :

064117

Peer reviewed :

Peer Reviewed verified by ORBi

Additional URL :

http://link.aps.org/doi/10.1103/PhysRevB.85.064117

Available on ORBi :

since 21 March 2014

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