摘要
The electronic structure and magnetism of compound Nd\-2Fe 17 N\-3 has been studied with MS_Xα method. It was found that there are negative exchange couplings between Fe(f) and Fe(c) atoms in Nd\-2Fe 17 N x compounds. The interstitial N atoms make the unit cell volume of the compounds increase a little, and hence the strength of negative exchange coupling decreases.
The electronic structure and magnetism of compound Nd\-2Fe 17 N\-3 has been studied with MS_Xα method. It was found that there are negative exchange couplings between Fe(f) and Fe(c) atoms in Nd\-2Fe 17 N x compounds. The interstitial N atoms make the unit cell volume of the compounds increase a little, and hence the strength of negative exchange coupling decreases.
基金
ThisworkwassupportedbytheNationalNaturalScienceFoundationofChina (GrantNo .19174 0 2 9)andClimbingProjectofChina .
