Abstract
The formation of complex defects (gallium, arsenic and aluminium vacancies with corresponding interstitial atoms) present at the GaAs/Al0.3Ga0.7As heterointerface as well as passivation of the defects by silicon impurities are discussed in the report. We used the density functional theory calculations, with the hybrid functionals B3LYP with Hay-Wadt effective core potentials for all the heavy atoms, in combination with Hay-Wadt valence basis. We present the energy characteristics (formation energy) and geometry of the defects (spatial distribution of the atoms and its charge near the interface defect).
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.
