Dresden 2020 – scientific programme

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O: Fachverband Oberflächenphysik

O 2: Heterostructures, interfaces and surfaces (joint session HL/O)

O 2.9: Talk

Monday, March 16, 2020, 12:15–12:30, POT 151

First-principles study of the structural and electronic properties of the GaAsxP1-x surface — •Marsel Karmo and Erich Runge — TU ILmenau, Weimarer Str.32, 98693 ILmenau

GaAsP is a III-V semiconductor alloy, which forms crystals in zincblende structure. Due to its high electron mobility, it is an important material in optoelectronics, mainly for solar cells. For the latter, it is important to understand the surface relaxation and reconstruction in the P-rich MOVPE process. We use the Vienna Ab initio Simulation Package (VASP) to perform first-principles calculations to identify the composition-dependent surface reconstructions and bonding-sites for adsorbates.