Regensburg 2019 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
O: Fachverband Oberflächenphysik
O 65: Poster Wednesday: Surface Structure, Epitaxy and Growth
O 65.11: Poster
Mittwoch, 3. April 2019, 17:45–20:00, Poster B1
Structures and energetics of surface steps of SiC — •Kaori Seino1,2 and Atsushi Oshiyama1 — 1Institute of Materials and Systems for Sustainability, Nagoya University, Nagoya, Japan — 2X-Ability Co., Ltd., Tokyo, Japan
Silicon carbide (SiC) is a material of considerable interest due to applications in power semiconductors. Stepped surfaces of SiC are important from the viewpoint not only of a crucial role in epitaxial growth but also of substrates for epitaxial graphene. There exist, however, only a small number of theoretical ab initio studies of surface steps of SiC [1].
Here we present density functional theory (DFT) calculations of structural properties and energetics for surface steps of 3C-SiC(111) surfaces. The calculations are performed using the real-space DFT (RSDFT) program code [2]. In the present work, we reveal atom-scale structures of single-bilayer steps inclined toward different directions. Further, we discuss the energetics of the step structures by calculating step formation energies. Based on the results, the morphology of the surface steps during epitaxial growth could be discussed.
[1] K. Sawada, J.-I. Iwata, and A. Oshiyama, Appl. Phys. Lett. 104, 051605 (2014).
[2] J.-I. Iwata, https://github.com/j-iwata/RSDFT.