Intrinsic ferromagnetism in CoBr2 nanolayers: a DFT + U and Monte Carlo study

A Jabar,R Masrour,G Kadim,M Hamedoun,A Hourmatallah,N Benzakour,A Rezzouk,K Bouslykhane,J Kharbach

Table 1. Magnetic moment(μB) of Co obtained by GGA and GGA + U compared to other experimental and theoretical values.

GGA + U Compound Experimental PBEsol GGA U = 3.67 eV U = 6 eV U = 7 eV U = 9 eV U = 10 eV CoBr2 — — 2.495 20 2.678 22 2.809 63 2.851 83 2.889 90 2.908 29 [6] — — 2.48 2.67 — — — — [5] — 3 — — — — — — [4] 2.8 — — — — — — —