Effect of Axial Ratio and Atomic Volume on Magnetism of$alpha^prime$and$gamma^prime$-Fe–N

First-principles calculation of structural, mechanical, magnetic and thermodynamic properties for γ-M23C6(M = Fe, Cr) compounds

“…According to the reaction energy, it is anticipated that the first Fe atom to enter the Cr 23 C 6 structure will fill the 4(a) site, after which, they fill the 8(c), 48(h) and 32(f) sites in sequence with increasing Fe content. for magnetic moments of ferromagnetic materials, presenting the linear correlation between the total magnetic moment and the lattice length [36,37] or Fe content [38]. For compound c, the 8(c) site occupied by Fe atoms is surrounded by 4 Cr atoms at an equal distance in the tetrahedral form.…”