Abstract
We have investigated the surface structures of AlN and InN using ab initio calculations based on the density functional theory within generalized gradient approximation. We studied the surface energies obtained from total energy calculations for various (2×2) geometries of cation-terminated (0001) surfaces and anion-terminated (0001) surfaces of AlN and InN, with hydrogen in a carrier gas. It was found that the structures with N–H bonds were favorable under hydrogen ambient, while in the absence of hydrogen, the structures with metal adatoms and N adatoms tended to be stable under metal-rich conditions and N-rich conditions, respectively.
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.
