English  |  正體中文  |  简体中文  |  全文笔数/总笔数 : 56552/90363 (63%)
造访人次 : 11827369      在线人数 : 127
RC Version 7.0 © Powered By DSPACE, MIT. Enhanced by NTU Library & TKU Library IR team.
搜寻范围 查询小技巧:
  • 您可在西文检索词汇前后加上"双引号",以获取较精准的检索结果
  • 若欲以作者姓名搜寻,建议至进阶搜寻限定作者字段,可获得较完整数据
  • 进阶搜寻

    jsp.display-item.identifier=請使用永久網址來引用或連結此文件: http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/118689

    题名: Transformation of Optical Anisotropy Origins in Perovskite-Related Materials: A First-Principles Study
    作者: Tong, Tinghao;Lee, Ming-Hsien;Zhang*, Jun
    日期: 2019-12-03
    上传时间: 2020-06-01 12:13:41 (UTC+8)
    摘要: Perovskite-related compounds are of vital significance in the optical element and laser industry and other fields. Exploring the contributions of microscopic units that form the perovskite framework is one efficient way to design new materials with targeted performance. In this work, we acquired the linear and nonlinear optical properties and analyzed the superior functional units in determining optical anisotropy and second harmonic generation (SHG) of typical perovskite-related compounds from inorganic to organic, namely, BaTiO3, Sr2MgMoO6, CsPbI3, CH3NH3PbI3, ClOK3, and B6O10ClK3. The results indicate that distorted octahedral units are dominant in optical anisotropy for the vast majority of perovskite-related compounds. For instance, [TiO6], [Mo6], [PbI6], and [OK6] octahedral units are decisive birefringence origins to BaTiO3, Sr2MgMoO6, CsPbI3 and CH3NH3PbI3, and ClOK3, respectively, most of which contribute over 90%. When it comes to B6O10ClK3, it is A-site [B6O10] groups but not [ClK6] octahedral units that lead the optical anisotropy, as the A-site groups present stronger covalency than octahedral units. In addition, through SHG-density analysis, A-site [B6O10] groups are also dominant SHG origins, which means A-site ionic groups are possible linear and nonlinear optical origins in this case.
    關聯: The Journal of Physical Chemistry C 123(51), p.31167-31174
    DOI: 10.1021/acs.jpcc.9b08478
    显示于类别:[物理學系暨研究所] 期刊論文


    档案 描述 大小格式浏览次数
    Transformation of Optical Anisotropy Origins in Perovskite-Related Materials A First-Principles Study.pdf2230KbAdobe PDF0检视/开启



    DSpace Software Copyright © 2002-2004  MIT &  Hewlett-Packard  /   Enhanced by   NTU Library & TKU Library IR teams. Copyright ©   - 回馈