Spin Space Groups: Full Classification and Applications

POSTER

Abstract

In this work, we exhaust all the spin-space symmetries, which fully characterize collinear, non-collinear, commensurate, and incommensurate spiral magnetism, and investigate enriched features of electronic bands that respect these symmetries. We achieve this by systematically classifying the so-called spin space groups (SSGs) - joint symmetry groups of spatial and spin operations that leave the magnetic structure unchanged. Generally speaking, they are accurate (approximate) symmetries in systems where spin-orbit coupling (SOC) is negligible. We - for the first time - obtain the complete classifications of 1421, 9542, and 56512 distinct SSGs for collinear (N=1), coplanar (N=2), and non-coplanar (N=3) magnetism, respectively. SSG not only fully characterizes the symmetry of spin d.o.f., but also gives rise to exotic electronic states, which, in general, form projective representations of magnetic space groups (MSGs). Surprisingly, electronic bands in SSGs exhibit features never seen in MSGs, such as nonsymmorphic SSG Brillouin zone (BZ), where SSG operations behave as glide or screw when act on momentum and unconventional spin-momentum locking. To apply our theory, we identify the SSG for each of the 1604 published magnetic structures. Material examples exhibiting aforementioned novel features are discussed with emphasis. We also investigate new types of SSG-protected topological electronic states that are unprecedented in MSGs.

* Z.-D. S. and Y.-Q. L. were supported by National Natural Science Foundation of China (General Program No. 12274005), Innovation Program for Quantum Science and Technology (No. 2021ZD0302403), National Key Research and Development Program of China (No. 2021YFA1401900). Z. X. and R.S. were supported by the National Basic Research Programs of China (No.~2019YFA0308401) and by National Natural Science Foundation of China (No.~11674011 and No.~12074008). J. Z. were supported by Guangdong Basic and Applied Basic Research Foundation (No. 2021B1515130007). The computational work was performed on the resources of the Platform for Data-Driven Computational Materials Discovery, Songshan Lake Materials Laboratory.

Publication: [1] arXiv:2307.10364

Presenters

  • Yanqi Li

    Peking university, Peking Univ

Authors

  • Zhenyu Xiao

    Peking Univ, Peking University

  • Jianzhou Zhao

    Southwest University of Science and Technology

  • Yanqi Li

    Peking university, Peking Univ

  • Ryuichi Shindou

    Peking Univ

  • Zhida Song

    Peking university, Peking University, Peking Univ, Princeton University