Direct and indirect methods based on effective Hamilton for electrocaloric effect of BaTiO3 nanoparticle
Direct and indirect methods based on effective Hamilton for electrocaloric effect of BaTiO3 nanoparticle
复制标题
基于有效哈密顿的直接法和间接法研究BaTiO3纳米粒子的电热效应
DOI：
10.1088/1361-648x/ab119b
复制
发表时间：
2019-04
期刊：
影响因子：
--
通讯作者：
Wang Jie
中科院分区：
文献类型：
--
作者：
Zhang Jingtong;Hou Xu;Wang Jie
低维铁电材料，包括纳米薄膜、纳米线和纳米颗粒，表现出优异的电热效应，在固态制冷器件中具有潜在的应用前景。预测纳米级铁电体的电致伸缩性能具有重要的科学意义和实际意义。本文采用基于有效哈密顿的直接和间接方法，研究了不同电场和温度下BaTiO_3纳米粒子中的电晕效应。在间接法中，利用蒙特卡罗模拟得到了不同电场作用下的极化随温度的变化。欧洲经委会是根据麦克斯韦关系间接计算的。在直接法中，将恶魔能量引入到系统中，以直接获得ECs。结果表明，直接法和间接法的峰值相差小于5%，说明直接法和间接法都可以用来模拟铁电纳米颗粒的电化学反应。
Low dimensional ferroelectric materials, including nano thin films, nanowires and nanoparticules, exhibit excellent electrocaloric effect (ECE) and have potential application in solid-state cooling devices. Predicting the ECE property of nanoscale ferroelectrics is of scientific significance and practice importance. Here, the direct and indirect methods based on effective Hamilton are employed to study the ECE in BaTiO3 nanoparticle under different electric fields and temperatures. In indirect method, the Monte Carlo simulation is used to obtain the polarization changes with temperature under different electric fields. The ECE is calculated indirectly based on the Maxwell relation. In direct method, the demon energy is introduced into the system in order to obtain the ECE directly. The results shows that the difference between the peak values of direct method and indirect method is less than 5%, which means both direct method and indirect method can be used to simulate the ECE of ferroelectric nanoparticle.
登录
查看更多内容
影响因子：
8.6
作者：
I. Ponomareva;S. Lisenkov
通讯作者：
I. Ponomareva;S. Lisenkov
影响因子：
4
作者：
Shengguo Lu;B. Rožič;Qiming Zhang;Z. Kutnjak;B. Neese
通讯作者：
Shengguo Lu;B. Rožič;Qiming Zhang;Z. Kutnjak;B. Neese
影响因子：
3.7
作者：
S. Prosandeev;I. Ponomareva;L. Bellaiche
通讯作者：
S. Prosandeev;I. Ponomareva;L. Bellaiche
影响因子：
8.6
作者：
CREUTZ, M
通讯作者：
CREUTZ, M
影响因子：
29.4
作者：
Guangzu Zhang;Xiaoshan Zhang;Houbing Huang;Jianjun Wang;Qi Li;Long-Qing Chen;Qing Wang
通讯作者：
Guangzu Zhang;Xiaoshan Zhang;Houbing Huang;Jianjun Wang;Qi Li;Long-Qing Chen;Qing Wang