Phenomenological thermodynamic potential for CaTiO 3 single crystals

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

Research output: Contribution to journalArticle

34 Citations (Scopus)

Abstract

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
Volume85
Issue number6
DOIs
StatePublished - Feb 23 2012

Fingerprint

Ferroelectric materials
Single crystals
Thermodynamics
thermodynamics
single crystals
Tensile strain
Polymorphism
Superconducting transition temperature
calcium
Calcium
Phase transitions
transition temperature
diagrams
retarding
Thin films
thin films

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

@article{b9c1e1b0e21a4bcc95f096e9e809a690,
title = "Phenomenological thermodynamic potential for CaTiO 3 single crystals",
abstract = "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.",
author = "Yijia Gu and Karin Rabe and Eric Bousquet and Venkatraman Gopalan and Long-qing Chen",
year = "2012",
month = "2",
day = "23",
doi = "10.1103/PhysRevB.85.064117",
language = "English (US)",
volume = "85",
journal = "Physical Review B-Condensed Matter",
issn = "1098-0121",
publisher = "American Physical Society",
number = "6",

}

Phenomenological thermodynamic potential for CaTiO 3 single crystals. / Gu, Yijia; Rabe, Karin; Bousquet, Eric; Gopalan, Venkatraman; Chen, Long-qing.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 85, No. 6, 064117, 23.02.2012.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Phenomenological thermodynamic potential for CaTiO 3 single crystals

AU - Gu, Yijia

AU - Rabe, Karin

AU - Bousquet, Eric

AU - Gopalan, Venkatraman

AU - Chen, Long-qing

PY - 2012/2/23

Y1 - 2012/2/23

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=84863247947&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84863247947&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.85.064117

DO - 10.1103/PhysRevB.85.064117

M3 - Article

AN - SCOPUS:84863247947

VL - 85

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 1098-0121

IS - 6

M1 - 064117

ER -