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  • Letter

Multiple dimensions of spin-gapless semiconducting states in tetragonal Sr2CuF6

Jianhua Wang1,*, Hongkuan Yuan1,*, Ying Liu2,†, Xiaotian Wang1,‡, and Gang Zhang3,§

  • 1School of Physical Science and Technology, Southwest University, Chongqing 400715, China
  • 2School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130, China
  • 3Institute of High Performance Computing, Agency for Science, Technology and Research (A*STAR), Singapore 138632, Singapore

  • *These authors contributed equally to this work.
  • †Corresponding author: ying_liu@hebut.edu.cn
  • ‡Corresponding author: xiaotianwang@swu.edu.cn
  • §Corresponding author: zhangg@ihpc.a-star.edu.sg

Phys. Rev. B 106, L060407 – Published 22 August, 2022

DOI: https://doi.org/10.1103/PhysRevB.106.L060407

Abstract

Spin-gapless semiconductors (SGSs), with intrinsic magnetism, 100% spin polarization, and zero-gap band crossing points, have attracted great scientific interest owing to their potential applications in spintronics. In this Letter, using first-principles calculations and symmetry analysis, we demonstrate that the realistic material Sr2CuF6 is a spintronic material with multiple dimensions of spin-gapless semiconducting states. Tetragonal Sr2CuF6 has a zero-dimensional zero-gap nodal point, a one-dimensional zero-gap nodal line, and a two-dimensional nearly zero-gap nodal surface in one spin direction. Moreover, it hosts a wide band gap in the other spin direction. Our results extend the SGS members from nodal point SGSs and nodal line SGSs to nodal surface SGSs. Furthermore, we report a SGS candidate in an experimentally realized material exhibiting different dimensions of zero-gap points in momentum space. It is hoped that spintronic materials with multiple dimensions of spin-gapless semiconducting states may have significant applications in new-generation spintronics.

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