[12p-A307-1~8] Materials Science and Advanced Electronics Created by Singularity of Nitride Semiconductors -Frontiers in defect physics: Merging characterization and theory-

[12p-A307-2] First Pricniples Investigation of Impurity-Dislocation Complexes in GaN

〇Kenji Shiraishi¹ (1.Nagoya Univ.)

Keywords:Nitride Semiconductor, Dislocation, Theory

We considered Mg-dislocation complexes by the first principles calculation. Calculated results clearly show that Mg aggregates near the screw dislocation core. Moreover, Mg acceptor levels hybridize with the dislocation core levels, resulting in the formation of bonding and antibonding states. Antibonding state levels elevates toward the conduction band minimum as the Mg-dislocation distance becomes small, leading to the formation of n-type characteristics. This is the origin of leakage currents.