Abstract
Ab initio molecular orbital calculations were performed to systematically investigate the chloride atomic layer epitaxy (ALE) process of GaAs. In the Ga layer formation, the GaCl molecule as a source is first adsorbed onto the As dangling-bond (DB) site through electronic “configuration mixing”. Consequently, the ambient H 2 reactively eliminates the Cl atom as HCl, where the “electron delocalization” is the driving factor of reaction. As layer formation via As 2 adsorption onto the Ga-DB site was also investigated. The results show that the π orbitals of As 2 are used to form the As-Ga bonds through “configuration mixing”, as in the case of GaCl/As-DB. The calculated energetics are consistent with the experimental data.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: 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.