Author/Authors :
Zhang، نويسنده , , Chang-Wen and Yan، نويسنده , , Shi-Shen and Wang، نويسنده , , Pei-ji and Zhang، نويسنده , , Zhong، نويسنده ,
Abstract :
The electronic structures and magnetism of N-doped ZnS are investigated using the full-potential linearized augmented plane-wave (FLAPW) method. We find that an isolated N atom produces a total magnetic moment of 1.0 μB and introduces spin-polarized 2p states in the band gap. Several doping configurations studied suggest the existence of ferromagnetic coupling between N atoms. The long-range ferromagnetic order in N:ZnS system is mainly driven by N–Zn–S–Zn–N coupling chain through the strong p–p interactions between N and host S atoms.
