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. 2023 Apr 12;16(8):3058. doi: 10.3390/ma16083058
U eff Effective Hubbard parameter. In order to deal with the strong correlation of Cr3+, the Hubbard empirical parameter U is added using Dudarev’s approach, Ueff = UJ, where U and J are the on-site Coulomb interaction and the strength of the effective on-site exchange interaction, respectively.
S i The normalized spin vector sitting on lattice site i.
J1 and J2 The in-plane nearest neighbor and the next-nearest neighbor magnetic exchange coupling parameters.
k B The Boltzmann constant.
M The normalized magnetization.
χ The magnetic susceptibility.