Abstract
We have performed a series of calculations of the electronic and topological properties of aluminum and gallium nitride using density functional theory and molecular dynamics. First we calculated basic parameters of the primitive crystalline cells to benchmark our results. Next, we worked with crystalline supercells in order to calculate the bandgap bowing parameter of the AlxGa1−xN alloy, which resulted in a value of 0.784eV. Finally we studied the amorphous alloy a-AlxGa1−xN with x=0, 0.25, 0.5, 0.75, 1; we report radial distribution functions, density of states and bandgaps of the aforementioned systems.
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.