Abstract
The electronic properties of Fe/GaAs(1 0 0) depend on the energetics of the GaAs(1 0 0)-(2×4) reconstruction as well as on the relaxation of Fe layers. Employing a pseudopotential ab initio method, we show that the GaAs(0 0 1)-(2×4) As-terminated surface is composed of two Ga and two As dimers with dimer axes perpendicular to each other in agreement with experiment. The influence of relaxing all atoms on the Schottky barrier has been calculated for different super-cell sizes showing a trend towards larger barrier heights for larger volumes of the Fe layers.
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.
