Theory of Electron Energy Loss Spectroscopy and its Application to Threading Edge Dislocations in GaN

Abstract

AbstractThe electronic structure of dislocations in GaN is controversial. Several experimental techniques such as carrier mobility studies and cathodoluminescence experiments have indicated that dislocations are charged while theoretical studies point to intrinsic states and/or point defect accumulation along the core as a source of electrical activity. Electron Energy Loss Spectroscopy (EELS) studies have the ability to probe the electronic structure of extended defects. Here we report rst principles calculations of the EELS spectrum applied to edge dislocations in GaN. It is found that the electrostatic potential at N atoms in the vicinity of the dislocation varies by the order of a volt and casts doubt on any simple interpretation of core loss spectroscopy. On the other hand, low loss spectroscopy leads directly to detailed information about any gap states. The low loss spectrum obtained by the theory is in good agreement with recent experimental work and indicates that threading dislocations in p-type GaN possess acceptor levels in the upper half of the gap.