1. Fig. 3 Spin disorder and spin-spin correlation.
Spin disorder and spin-spin correlation. (A) Average angle (Δθ) between two nearest atomic spins and average magnetization (m) as a function of temperature (T). mLLG and ΔθLLG are calculated by the classical MC simulation of the LLG model. mexp is the experimentally measured value, and Δθexp is the experimental Δθ angle estimated from mexp. (B) Spin-spin correlation function (<Si, Sj>) as a function of the atomic distance (Dij) at room temperature. Dij is in the unit of the nearest neighboring distance. (C) Maximal demagnetization rate (Δm = 1 − mmin/mt = 0) as a function of the initial spin disorder (Δθ) in the 4 × 4 × 4 Ni system. Each circle represents one independent simulation with different initial disorder. The blue circle is the original FB-rt-TDDFT simulation, while the red circle is the corresponding simulation with fixing electron-electron interaction (i.e., the Coulomb and exchange interaction potential is taken from time t = 0 and is not self-consistently updated). (D) Δm versus Δθ in the 8 × 1 × 1 Ni system.
Zhanghui Chen, and Lin-Wang Wang Sci Adv 2019;5:eaau8000
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