Proceedings of the 27th International Conference on the Physics of Semiconductors 2004 (AIP Conference Proceedings) 772 1369 (2005)
Density functional calculations are used to investigate the magnetic properties of the Mn-doped II-IV-V2 chalcopyrites, CdGeP2, ZnGeP2, ZnGeAs2, ZnSnP2, and ZnSnAs2. We find the Zn-based compounds have significantly larger ferromagnetic interactions than CdGeP2. Calculated valence band spin-splittings indicate the possibility of high carrier polarization in these systems. We do not find a simple relationship between lattice constant and exchange coupling, as suggested by simple models. Our results suggest the II-IV-V2 chalcopyrites are promising alternate high temperature dilute magnetic semiconductors.
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