Direct molecular dynamics simulation of electrocaloric effect in BaTiO 3

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

研究成果: Article査読

24 被引用数 (Scopus)

抄録

The electrocaloric effect (ECE) in BaTiO3 is simulated using two different first-principles based effective Hamiltonian molecular dynamics methods. The calculations are performed for a wide range of temperatures (30-900 K) and external electric fields (0-500kV/cm). As expected, a large adiabatic temperature change, ΔT, at the Curie temperature, TC, is observed. It is found that for single crystals of pure BaTiO33, the temperature range where a large ΔT is observed is narrow for small external electric fields (<50kV/cm). Large fields (>100kV/cm) may be required to broaden the effective temperature range. The effect of crystal anisotropy on the ECE ΔT is also investigated. It is found that applying an external electric field along the [001] direction has a larger ECE than those along the [110] and [111] directions.

本文言語English
論文番号114605
ジャーナルjournal of the physical society of japan
82
11
DOI
出版ステータスPublished - 2013 11

ASJC Scopus subject areas

  • 物理学および天文学(全般)

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