The effect of threading dislocations on the electronic properties of AlN was investigated through density functional theory calculations on the six atom ring core of c-screw dislocations. Additional calculations were performed in order to elucidate the effect of doping through decoration of the dislocation cores by Indium and Oxygen atoms. Substitution of Al (N) core atoms by In (O) impurities as well as incorporation of a rhombohedral In2O3 structural unit in the core, were examined. It was revealed that multiple levels were induced in the band gap of AlN in all cases and screw dislocations were identified as conduction pathways to charge carriers. This feature was exemplified when rhombohedral In2O3 was incorporated in the cores. The presence of these dopants shall augment the conductivity along the dislocation line and new prospects arise for AlN threading dislocations since, following the “dislocation technology” scheme, the role of conductive nanowires in semiconducting thin films was appointed to doped screw dislocations’

Effect of Doping on Screw Threading Dislocations in AlN and their Role as Conductive Nanowires. J.Kioseoglou, E.Kalesaki, I.Belabbas, J.Chen, G.Nouet, P.Komninou, T.Karakostas: Physica Status Solidi C, 2012, 9[3-4], 484–7