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HL: Fachverband Halbleiterphysik

HL 35: HL Poster II

HL 35.32: Poster

Mittwoch, 3. April 2019, 17:30–20:00, Poster E

First-principles study of the structural and electronic properties of the GaP surface and GaP/Si interface — •Marsel Karmo¹ and Erich Runge² — ¹TU ILmenau,Weimarer Str.32,98693 ILmenau — ²TU ILmenau,Weimarer Str.32,98693 ILmenau

The heteroepitaxial growth of III-V semiconductors on silicon enables the combination of the advantages of both materials. GaP/Si(001) is an attractive quasi-substrate. However, both, the GaP-interface as well as the GaP surface with its crystal quality and electronic properties has a high impact on the device performance. Thus, surface and interface need to be studied in detail. The atomic and electronic band structure of abrupt and mixed GaP/Si interfaces were investigated by ab-initio density functional theory calculations using the Vienna Ab initio Simulation Package (VASP). Thereby the electronic band structure and dielectric function of both types of termination, i.e. of abrupt Si-P and Si-Ga interfaces was calculated. Moreover, the GaP surface with hydrogen adsorption was studied, as it is a typical result of MOCVD epitaxial growth.