Abstract
We investigate from first principles the energetic and vibrational properties of various candidate structures for the 3125 cm −1 local vibrational mode in GaN, known to be related to hydrogen passivated magnesium atoms. The orientation of the electric dipole of this mode has recently been measured with respect to the wurtzite c-axis, giving a result seemingly inconsistent with current atomic models for this defect. We study the possibility that complexes of magnesium, native impurities and hydrogen could give rise to the experimental observations. Furthermore, we consider a possible candidate giving rise to a 0.88-eV line in a variety of electron-irradiated GaN samples. We find evidence that a deep donor level including substitutional oxygen must result from a complex impurity.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
