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Tunable meron pair excitations and Berezinskii-Kosterlitz-Thouless phase transitions in the monolayer antiferromagnet MnPSe3

Guokai Liao1, Shunhong Zhang1,2,*, Ping Cui1,2,†, and Zhenyu Zhang1,2

  • 1International Center for Quantum Design of Functional Materials (ICQD), University of Science and Technology of China, Hefei 230026, Anhui, China
  • 2Hefei National Laboratory, University of Science and Technology of China, Hefei, Anhui 230088, China

  • *szhang2@ustc.edu.cn
  • †cuipg@ustc.edu.cn

Phys. Rev. B 109, L100403 – Published 11 March, 2024

DOI: https://doi.org/10.1103/PhysRevB.109.L100403

Abstract

Exploration of exotic quantum physics in magnetic systems of reduced dimensionality is among the central themes of condensed matter physics. Here we investigate the nature of magnetic couplings, topological excitations, and critical phenomena in monolayer MnPSe3, a representative two-dimensional antiferromagnet. We first establish, based on first-principles calculations, that the S=5/2Mn2+ ions possess single-ion anisotropy, favoring in-plane magnetization, and exhibit isotropic antiferromagnetic pairwise couplings. Next, our atomistic magnetics simulations identify antiferromagnetically coupled meron pairs to be the characteristic topological excitations, whose size, polarity, and dynamics can be delicately tuned by an external magnetic field. Significantly, a critical temperature of ∼30 K is indicated in both the susceptibility and specific heat, and detailed scaling analyses on the spin correlations and stiffness unambiguously attribute the critical behavior to the Berezinskii-Kosterlitz-Thouless universality class. Our findings thereby provide an ideal candidate antiferromagnetic counterpart of the recently identified monolayer XY ferromagnet of CrCl3, the former may harbor distinct topological excitations and multicriticality.

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