. 2020 Nov 23;10(69):42493–42501. doi: 10.1039/d0ra08153a

Average magnetic moment of Cr-ion (m^Cr), the induced magnetic moments on I-atom (m^I) and O-atom (m^O), the magnetic anisotropy energy (MAE) per Cr atom, the exchange coupling parameter (J_ex), the estimated T_C and rescaled Curie temperature.

Configuration	Pristine CrI₃	O-attached CrI₃	O-doped CrI₃
m ^Cr (μ_B)	3.19	3.03	2.93
m ^I (μ_B)	−0.107	−0.084	−0.067
m ^O (μ_B)	—	−0.129	−0.172
MAE (meV per Cr)	0.71	0.64	0.78
J _ex (meV)	1.33	1.27	4.31
T _C (K)	51.5	49.2	166.9
(K)	—	42.9	145.8

Average magnetic moment of Cr-ion (mCr), the induced magnetic moments on I-atom (mI) and O-atom (mO), the magnetic anisotropy energy (MAE) per Cr atom, the exchange coupling parameter (Jex), the estimated TC and rescaled Curie temperature.