Abstract
The perovskite crystal BaTiO 3 is modeled using a first-principles based effective Hamiltonian and molecular dynamics simulations are performed to estimate the pyroelectric response. The electrocaloric temperature change, ΔT, is calculated for different temperatures and externally applied electric fields. It is found that it is possible to achieve a large ΔT, 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.
Original language | English |
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Pages (from-to) | 254-257 |
Number of pages | 4 |
Journal | Materials Letters |
Volume | 89 |
DOIs | |
Publication status | Published - 2012 Dec 15 |
Keywords
- BaTiO
- Electrocaloric effect
- Pyroelectric
- Simulation
ASJC Scopus subject areas
- Materials Science(all)
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering