期刊
MATERIALS LETTERS
卷 89, 期 -, 页码 254-257出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.matlet.2012.08.102
关键词
BaTiO3; Pyroelectric; Electrocaloric effect; Simulation
资金
- National Science Foundation (NSF) [DMR-1037898, DMR-1105641]
- Japan Society for the Promotion of Science (JSPS) through KAKENHI [23740230]
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [1105641] Funding Source: National Science Foundation
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [1037898] Funding Source: National Science Foundation
- Grants-in-Aid for Scientific Research [23740230] Funding Source: KAKEN
The perovskite crystal BaTiO3 is modeled using a first-principles based effective Hamiltonian and molecular dynamics simulations are performed to estimate the pyroelectric response. The electrocaloric temperature change, Delta T, is calculated for different temperatures and externally applied electric fields. It is found that it is possible to achieve a large Delta T, around 5-6 K, for a relatively small electric field gradient, less than 100 kV/cm, if the applied fields have a small absolute magnitude. (C) 2012 Elsevier B.V. All rights reserved.
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