Chapman, JBJ;
Cohen, RE;
Kimmel, AV;
Duffy, DM;
(2017)
Improving the Functional Control of Aged Ferroelectrics Using Insights from Atomistic Modeling.
Physical Review Letters
, 119
(17)
10.1103/PhysRevLett.119.177602.
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Abstract
We provide a fundamental insight into the microscopic mechanisms of the aging processes. Using large-scale molecular dynamics simulations of the prototypical ferroelectric material PbTiO 3 , we demonstrate that the experimentally observed aging phenomena can be reproduced from intrinsic interactions of defect dipoles related to dopant-vacancy associates, even in the absence of extrinsic effects. We show that variation of the dopant concentration modifies the material’s hysteretic response. We identify a universal method to reduce loss and tune the electromechanical properties of inexpensive ceramics for efficient technologies.
| Type: | Article |
|---|---|
| Title: | Improving the Functional Control of Aged Ferroelectrics Using Insights from Atomistic Modeling |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1103/PhysRevLett.119.177602 |
| Publisher version: | http://dx.doi.org/10.1103/PhysRevLett.119.177602 |
| Language: | English |
| Additional information: | This version is the version of record. For information on re-use, please refer to the publisher’s terms and conditions. |
| Keywords: | Science & Technology, Physical Sciences, Physics, Multidisciplinary, Physics, MODIFIED BATIO3 CERAMICS, PBTIO3, CRYSTALS, BEHAVIOR, ORIGIN, STRAIN, FILMS, FIELD |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10028643 |
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