Berlin 2024 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 37: Poster: Electronic Structure of Surfaces and Spectroscopy of Surface States

O 37.7: Poster

Dienstag, 19. März 2024, 18:00–20:00, Poster D

Substrate doping and defect influence on P-rich InP(001):H surface properties — Rachele Sciotto, •Isaac Azahel Ruiz Alvarado, and Wolf Gero Schmidt — Lehrstuhl für Theoretische Materialphysik, Universität Paderborn, Paderborn, Germany

Density-functional theory calculations on P-rich InP(001):H surfaces are presented. Depending on temperature, pressure and substrate doping, hydrogen desorption will occur and influence the surface electronic properties. For p-doped samples, the charge transition levels of the P dangling bond defects resulting from H desorption will lead to Fermi level pinning in the lower half of the band gap. This explains recent experimental data. For n- doped substrates, H-deficient surfaces are the ground-state structure. This will lead to Fermi level pinning below the bulk conduction band minimum. Surface defects resulting from the adsorption of additional hydrogen can be expected as well but affect the surface electronic properties less than H desorption.

Keywords: III-V Semiconductors; Surface defects; Surface states; Density functional theory; Hybrid functionals