Synthese, Quantenchemie und Charakterisierung von ternären und quaternären Eisennitriden

This thesis presents a theoretical investigation, experimental synthesis and characterization of ternary nitrides with the composition Ga_xM_(1–x)Fe_3N (M = Ni, Co) and selected quaternary nitrides. Based on density-functional theory MFe_3N (M = Al, Ga and In) is described as a enthalpic stable phase. An ordered distribution was calculated to 1a(M)3c(Fe3)1b(N), energetically preferred and confirmed by experimental findings. For the first time, the whole series Ga_xFe_(4–x)N with 0 < x