...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Physical review >Theory of finite-temperature two-dimensional structural transformations in group-Ⅳ monochalcogenide monolayers
【24h】

Theory of finite-temperature two-dimensional structural transformations in group-Ⅳ monochalcogenide monolayers

机译：Ⅳ组单色胶质苷元单层的有限温度二维结构转化理论

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

One account of two-dimensional (2D) structural transformations in 2D ferroelectrics predicts an evolution from a structure with Pnm2_1 symmetry into a structure with square P4mm symmetry and is consistent with experimental evidence, while another argues for a transformation into a structure with rectangular Pnmm symmetry. An analysis of the assumptions made in these models is provided here, and six fundamental results concerning these transformations are contributed as follows: (ⅰ) Softened phonon modes produce rotational modes in these materials. (ⅱ) The transformation to a structure with P4mm symmetry occurs at the lowest critical temperature T_c. (ⅲ) The hypothesis that one unidirectional optical vibrational mode underpins the 2D transformation is unwarranted, (ⅳ) Being successively more constrained, a succession of critical temperatures (T_c ＜ T′_c ＜ T″_c) occurs in going from molecular dynamics calculations with the NPT and NVT ensembles onto models with unidirectional oscillations, (ⅴ) The choice of exchange-correlation functional impacts the estimate of the critical temperature. (ⅵ) Crucially, the correct physical picture of these transformations is one in which rotational modes confer a topological character to the 2D transformation via the proliferation of vortices.
机译：在2D铁电气中的二维（2D）结构变换的一个陈述预测了PNM2_1对称性的结构中的演变，与方形P4 / NMM对称的结构，并且与实验证据一致，而另一种旨在将转换成具有矩形的结构。 PNMM对称性。这里提供了对这些模型中的假设的分析，并且有关这些变换的六个基本结果如下所促进：（Ⅰ）软位的声子模式在这些材料中产生旋转模式。 （Ⅱ）在最低临界温度T_C处发生对具有P4 / NMM对称性的结构的转化。 （Ⅲ）一个单向光学振动模式支撑底划的假设是未解的，（ⅳ）连续更约束，临界温度（t_c

著录项

  • 来源
    《Physical review》 |2020年第18期|184101.1-184101.11|共11页
  • 作者

    John W. Villanova; Pradeep Kumar; Salvador Barraza-Lopez;

  • 作者单位

    Department of Physics University of Arkansas Fayetteville Arkansas 72701 USA;

    Department of Physics University of Arkansas Fayetteville Arkansas 72701 USA;

    Department of Physics University of Arkansas Fayetteville Arkansas 72701 USA;

  • 收录信息
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号