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posted on 2024-06-18, 11:51 authored by Xiang-Fan Huang, Kang-Jie Li, Zequan Wang, Shi-Bo Zhao, Bing Shen, Zu-Xin Chen, Yusheng Hou
supplementary material for DFT computational and MC simulations details, structural information, phonon spectra of structures with space groups P3m1 and Cm, AIMD simulations results, magnetic moments, Heisenberg exchange parameters Ji-j (i = 1, 2, 3, 4 and 5; j = 1, 2 and 3), the component values of DMI vector, the values of |Di-j,//| (i = 1; j = 1 and 2), MAE, TC, the spin band gap, band structure and PDOS without (with) SOC, orbital-resolved MAE for MnXY MLs.

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