Elastocaloric response of PbTiO3 Predicted from a first-principles effective Hamiltonian

Jordan A. Barr, Scott P. Beckman, Takeshi Nishimatsu

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8 Citations (Scopus)

Abstract

A first-principles effective Hamiltonian is used in a molecular dynamics simulation to study the elastocaloric effect in PbTiO3. It is found that the transition temperature is a linear function of uniaxial tensile stress. A negative temperature change is calculated, when the uniaxial tensile stress is switched off, as a function of the initial temperature ΔT(Tinitial ). It is predicted that the formation of domain structures under uniaxial tensile stress degrades the effectiveness of the elastocaloric effect.

Original languageEnglish
Article number024716
Journaljournal of the physical society of japan
Volume84
Issue number2
DOIs
Publication statusPublished - 2015 Feb 15

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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