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Generalization of microscopic multipoles and cross-correlated phenomena by their orderings
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| Title: | Generalization of microscopic multipoles and cross-correlated phenomena by their orderings |
| Authors: | Kusunose, Hiroaki Browse this author | | Hayami, Satoru Browse this author |
| Keywords: | parity breaking | | toroidal ordering | | augmented multipole |
| Issue Date: | 16-Nov-2022 |
| Publisher: | IOP Publishing |
| Journal Title: | Journal of physics : condensed matter |
| Volume: | 34 |
| Issue: | 46 |
| Start Page: | 464002 |
| Publisher DOI: | 10.1088/1361-648X/ac9209 |
| Abstract: | The generalization of the atomic-scale multipoles is discussed. By introducing the augmented multipoles defined in the hybrid orbitals or in the site/bond-cluster, any of electronic degrees of freedom can be expressed in accordance with the crystallographic point group. These multipoles are useful to describe the cross-correlated phenomena, band-structure deformation, and generation of effective spin-orbit coupling due to antiferromagnetic ordering in a systematic and comprehensive manner. Such a symmetry-adapted multipole basis set could be a promising descriptor for materials design and informatics. |
| Rights: | This is the Accepted Manuscript version of an article accepted for publication in Journal of Physics : Condensed Matter. IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or any version derived from it. The Version of Record is available online at https://doi.org/10.1088/1361-648X/ac9209. | | https://creativecommons.org/licenses/by-nc-nd/4.0/ |
| Type: | article (author version) |
| URI: | http://hdl.handle.net/2115/90709 |
| Appears in Collections: | 理学院・理学研究院 (Graduate School of Science / Faculty of Science) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)
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Submitter: 速水 賢
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