SKM 2023 – wissenschaftliches Programm

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HL: Fachverband Halbleiterphysik

HL 7: Poster I

HL 7.41: Poster

Montag, 27. März 2023, 13:00–15:00, P2/EG

Investigation of SiNWs [100] and [111] applying DFT with doping — •Nedhal Al-Nuaimi, Hilser Florian, and Gemming Sibylle — Chemnitz University of Technology, Chemnitz (Germany)

We present an ab initio study of Silicon nanowires (SiNW) with p-type impurities (doping) of Boron (B) and n-type impurities of Phosphorus (P) using Abinit and VESTA Software. We compare total energy and band dispersion in the [100] and [111] directions with that of pure bulk (semiconductor) silicon. The resulting band structure shows metallic behaviour due to additional states within the band gap. Furthermore dangling bonds lead to localized surface states without dispersion. Saturating these states can cause shifts in the electrostatic potential and may be used to tune the sensing properties of SiNWs.