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Towards a microscopic theory of toroidal moments in bulk periodic crystals

机译:关于体周期环形力矩的微观理论   晶体

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摘要

We present a theoretical analysis of magnetic toroidal moments in periodicsystems, in the limit in which the toroidal moments are caused by a time andspace reversal symmetry breaking arrangement of localized magnetic dipolemoments. We summarize the basic definitions for finite systems and address thequestion of how to generalize these definitions to the bulk periodic case. Wedefine the toroidization as the toroidal moment per unit cell volume, and weshow that periodic boundary conditions lead to a multivaluedness of thetoroidization, which suggests that only differences in toroidization aremeaningful observable quantities. Our analysis bears strong analogy to themodern theory of electric polarization in bulk periodic systems, but we alsopoint out some important differences between the two cases. We then discuss theinstructive example of a one-dimensional chain of magnetic moments, and we showhow to properly calculate changes of the toroidization for this system.Finally, we evaluate and discuss the toroidization (in the local dipole limit)of four important example materials: BaNiF_4, LiCoPO_4, GaFeO_3, and BiFeO_3.
机译:我们对周期系统中的磁环矩进行了理论分析,其极限是环磁矩是由局部磁偶极矩的时空反转对称性破坏布置引起的。我们总结了有限系统的基本定义,并提出了如何将这些定义推广到整体周期情况的问题。我们将环化定义为每单位晶胞体积的环面矩,并表明周期性边界条件导致环化的多值性,这表明只有环化差异才是有意义的可观测量。我们的分析与本体周期系统中的现代极化理论有很强的相似性,但我们也指出了这两种情况之间的一些重要区别。然后我们讨论一维磁矩链的说明性示例,并展示如何正确计算该系统的环化变化。最后,我们评估和讨论四种重要示例材料的环化(在局部偶极子极限内): BaNiF_4,LiCoPO_4,GaFeO_3和BiFeO_3。

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  • 作者单位
  • 年度 2008
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  • 原文格式 PDF
  • 正文语种 {"code":"en","name":"English","id":9}
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