Elastocaloric response of PbTiO3 predicted from a first-principles effective Hamiltonian
Materials Science
2015-01-19 v4
Abstract
A first-principles based effective Hamiltonian is used within 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. Negative temperature change is calculated, when the uniaxial tensile stress is switched off, as a function of initial temperature Delta-T(T_initial). It is predicted that the formation of domain structures under uniaxial tensile stress degrades the effectiveness of the elastocaloric effect.
Keywords
Cite
@article{arxiv.1404.5459,
title = {Elastocaloric response of PbTiO3 predicted from a first-principles effective Hamiltonian},
author = {Jordan A. Barr and Scott P. Beckman and Takeshi Nishimatsu},
journal= {arXiv preprint arXiv:1404.5459},
year = {2015}
}
Comments
6 pages, 7 figures, published in JPSJ