- 必威体育下载

姓名
邮箱
手机号码
标题
留言内容
验证码

摘要

铁电材料在室温下具有可以在外加电场作用下改变方向的自发极化, 不同方向的极化在材料内部形成畴结构, 会对其物理特性和实际应用具有显著影响. 本文将最初用于微磁模拟的布朗方程引入铁电材料的大尺度模拟中, 研究其中可能出现的重要畴结构. 在以有效哈密顿量方法为基础推导出铁电材料中关于电偶极子的布朗方程后, 以 ${\rm{BaTiO_3}}$ , ${\rm{PbTiO_3}}$ 块体和 ${\rm{SrTiO_3}}$ / ${\rm{PbTiO_3}}$ / ${\rm{SrTiO_3}}$ 夹心结构等钙钛矿铁电材料为研究对象, 验证了布朗方程的有效性并讨论了其中的多种畴结构, 如周期性条带状畴、涡旋型拓扑畴结构等, 并与相关实验结果进行了对比分析.

关键词:

拓扑畴/
布朗方程/
钙钛矿

Abstract

Ferroelectric material possesses spontaneous polarization at room temperature, which can be switched by an external electric field. The diverse domain structures within ferroelectric materials, consisting of polarizations in various directions, often significantly affect their physical properties and practical applications. Numerical simulations can aid in comprehending and validating the complex domains observed in experiments. They can also provide guidance for controlling such structures. One popular method for finding dipole configurations is to create an energy model and employ it in Monte-Carlo simulations to find dipole configuration. However, since these simulations usually reaches the ground state of the system (the state with the lowest global energy), they often miss the dipole configurations of interest, such as topological domain structures, which are usually metastable. Here, in order to simulate complex domain, we introduce Brown's equation, which is originally used for micromagnetic simulation, into the large-scale simulation of ferroelectric materials. Using the effective Hamiltonian as the energy model, we derive the Brown's equations with respect to the electric dipoles in ferroelectric materials, and invesitgate perovskites such as ${\rm{BaTiO_3}}$ bulk, ${\rm{PbTiO_3}}$ bulk, and ${\rm{SrTiO_3}}$ / ${\rm{PbTiO_3}}$ / ${\rm{SrTiO_3}}$ sandwiched structures. We demonstrate the reliability and feasibility of Brown's equation in ferroelectrics through the simulation of ${\rm{BaTiO_3}}$ bulk and ${\rm{PbTiO_3}}$ bulk, which are consistent with experiments. Then, using Brown's equation derived in our work, we obtain various domain structures in ${\rm{SrTiO_3}}$ / ${\rm{PbTiO_3}}$ / ${\rm{SrTiO_3}}$ sandwiched structures, including periodic stripe domains and vortex domains. The simulation results are compared with related exprimental results.

Keywords:

作者及机构信息

通信作者:王大威,dawei.wang@xjtu.edu.cn

基金项目:国家自然科学基金(批准号: 11974268, 12111530061)资助的课题

Authors and contacts

Corresponding author:Wang Da-Wei,dawei.wang@xjtu.edu.cn

Funds:Project supported by the National Natural Science Foundation of China (Grant Nos. 11974268, 12111530061)

文章全文: translate this paragraph

参考文献

[1]
[2]
[3]
[4]
[5]
[6]
[7]
[8]
[9]
[10]
[11]
[12]
[13]
[14]
[15]
[16]
[17]
[18]
[19]
[20]
[21]
[22]
[23]
[24]
[25]
[26]
[27]
[28]
[29]
[30]
[31]
[32]
[33]
[34]
[35]
[36]
[37]
[38]
[39]
[40]
[41]
[42]
[43]
[44]
[45]
[46]
[47]
[48]
[49]
[50]

施引文献

下载: 全尺寸图片幻灯片

宏观极化方向	$ \left\langle 111\right\rangle $	$ \left\langle 110\right\rangle $	$ \left\langle 100\right\rangle $
近似沿$ \left\langle 111\right\rangle $方向的偶极子极化个数	1728	1536	1348
近似沿$ \left\langle 111\right\rangle $方向的偶极子极化占比	100%	89%	78%

下载: 导出CSV

[1]
[2]
[3]
[4]
[5]
[6]
[7]
[8]
[9]
[10]
[11]
[12]
[13]
[14]
[15]
[16]
[17]
[18]
[19]
[20]
[21]
[22]
[23]
[24]
[25]
[26]
[27]
[28]
[29]
[30]
[31]
[32]
[33]
[34]
[35]
[36]
[37]
[38]
[39]
[40]
[41]
[42]
[43]
[44]
[45]
[46]
[47]
[48]
[49]
[50]

[1]	田国, 樊贞, 陈德杨, 侯志鹏, 刘俊明, 高兴森.“针尖下的实验室”—扫描探针探测与调控铁电畴及其微观物性. 必威体育下载 , 2023, 72(20): 207501.doi:10.7498/aps.72.20230954
[2]	李斌, 苗向阳.单个CsPbBr₃钙钛矿量子点的荧光闪烁特性. 必威体育下载 , 2021, 70(20): 207802.doi:10.7498/aps.70.20210908
[3]	赵辛未, 吕俊鹏, 倪振华.铅卤钙钛矿法布里-珀罗谐振腔激光器. 必威体育下载 , 2021, 70(5): 054205.doi:10.7498/aps.70.20201302
[4]	郤育莺, 韩悦, 李国辉, 翟爱平, 冀婷, 郝玉英, 崔艳霞.异质结构在光伏型卤化物钙钛矿光电转换器件中的应用. 必威体育下载 , 2020, 69(16): 167804.doi:10.7498/aps.69.20200591
[5]	吴海妍, 唐建新, 李艳青.基于缺陷态钝化的高效稳定蓝光钙钛矿发光二极管. 必威体育下载 , 2020, 69(13): 138502.doi:10.7498/aps.69.20200566
[6]	陈佳楣, 苏杭, 李婉, 张立来, 索鑫磊, 钦敬, 朱坤, 李国龙.钙钛矿发光二极管光提取性能增强的研究进展. 必威体育下载 , 2020, 69(21): 218501.doi:10.7498/aps.69.20200755
[7]	樊钦华, 祖延清, 李璐, 代锦飞, 吴朝新.发光铅卤钙钛矿纳米晶稳定性的研究进展. 必威体育下载 , 2020, 69(11): 118501.doi:10.7498/aps.69.20191767
[8]	黄伟, 李跃龙, 任慧志, 王鹏阳, 魏长春, 侯国付, 张德坤, 许盛之, 王广才, 赵颖, 袁明鉴, 张晓丹.基于N型纳米晶硅氧电子注入层的钙钛矿发光二极管. 必威体育下载 , 2019, 68(12): 128103.doi:10.7498/aps.68.20190258
[9]	王继飞, 林东旭, 袁永波.有机金属卤化物钙钛矿中的离子迁移现象及其研究进展. 必威体育下载 , 2019, 68(15): 158801.doi:10.7498/aps.68.20190853
[10]	魏应强, 徐磊, 彭其明, 王建浦.钙钛矿的Rashba效应及其对载流子复合的影响. 必威体育下载 , 2019, 68(15): 158506.doi:10.7498/aps.68.20190675
[11]	瞿子涵, 储泽马, 张兴旺, 游经碧.高效绿光钙钛矿发光二极管研究进展. 必威体育下载 , 2019, 68(15): 158504.doi:10.7498/aps.68.20190647
[12]	杨自欣, 高章然, 孙晓帆, 蔡宏灵, 张凤鸣, 吴小山.铅基钙钛矿铁电晶体高临界转变温度的机器学习研究. 必威体育下载 , 2019, 68(21): 210502.doi:10.7498/aps.68.20190942
[13]	夏俊民, 梁超, 邢贵川.喷墨打印钙钛矿太阳能电池研究进展与展望. 必威体育下载 , 2019, 68(15): 158807.doi:10.7498/aps.68.20190302
[14]	宋蕊, 冯凯, 林上金, 何曼丽, 仝亮.钙钛矿NaFeF₃结构物性的理论研究及应力和掺杂调控. 必威体育下载 , 2019, 68(14): 147101.doi:10.7498/aps.68.20190573
[15]	赵国栋, 杨亚利, 任伟.钙钛矿型氧化物非常规铁电研究进展. 必威体育下载 , 2018, 67(15): 157504.doi:10.7498/aps.67.20180936
[16]	叶红军, 王大威, 姜志军, 成晟, 魏晓勇.钙钛矿结构SnTiO3铁电相变的第一性原理研究. 必威体育下载 , 2016, 65(23): 237101.doi:10.7498/aps.65.237101
[17]	夏祥, 刘喜哲.CH3NH3I在制备CH3NH3PbI(3-x)Clx钙钛矿太阳能电池中的作用. 必威体育下载 , 2015, 64(3): 038104.doi:10.7498/aps.64.038104
[18]	杨旭东, 陈汉, 毕恩兵, 韩礼元.高效率钙钛矿太阳电池发展中的关键问题. 必威体育下载 , 2015, 64(3): 038404.doi:10.7498/aps.64.038404
[19]	吴迪, 赵纪军, 田华.Fe2+取代对MgSiO3钙钛矿高温高压物性的影响. 必威体育下载 , 2013, 62(4): 049101.doi:10.7498/aps.62.049101
[20]	向军, 李莉萍, 苏文辉.钙钛矿型氧离子导体KNb1-xMgxO3-δ的制备和表征. 必威体育下载 , 2003, 52(6): 1474-1478.doi:10.7498/aps.52.1474

计量

文章访问数:3428
PDF下载量:106
被引次数:0

搜索

留言板