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Ferromagnetism, Jahn-Teller effect, and orbital order in the two-dimensional monolayer perovskite Rb2CuCl4

Chao Liu1,2, Guodong Zhao1, Tao Hu1,*, Yangyang Chen1,†, Shixun Cao1,‡, L. Bellaiche2, and Wei Ren1

  • 1Physics Department, State Key Laboratory of Advanced Special Steel, Shanghai Key Laboratory of High Temperature Superconductors, International Centre of Quantum and Molecular Structures, Shanghai University, Shanghai 200444, China
  • 2Physics Department and Institute for Nanoscience and Engineering, University of Arkansas, Fayetteville, Arkansas 72701, USA

  • *taohu@shu.edu.cn
  • †phycyy@shu.edu.cn
  • ‡sxcao@shu.edu.cn

Phys. Rev. B 104, L241105 – Published 16 December, 2021

DOI: https://doi.org/10.1103/PhysRevB.104.L241105

Abstract

Two-dimensional (2D) ferromagnetic (FM) semiconductors have attracted increasing interest for advanced spintronics. Here, we report that the monolayer perovskite Rb2CuCl4 (RCC) exhibits an intrinsic 2D FM semiconductor feature, emergent Jahn-Teller (JT) effect, and related orbital order (OO) with the diversity and tunability of physical behaviors. First-principles calculations and Monte Carlo simulations reveal the crucial changes of OO type, related mechanism of ferromagnetism, and electronic structure during the transition of JT distortion. Finally, we examine the significant tunable effect of biaxial strain on electronic and magnetic properties. Our comprehensive work on magnetism, structural distortion, and the electronic properties of monolayer RCC provides a guideline for studying the physical phenomena of 3d9 Cu(II) in 2D halide perovskites.

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