SKM 2023 – wissenschaftliches Programm
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HL: Fachverband Halbleiterphysik
HL 38: Functional semiconductors for renewable energy solutions I
HL 38.1: Vortrag
Donnerstag, 30. März 2023, 09:30–09:45, POT 6
Energy landscape of B–Si defects calculated by DFT for modelling light-induced degradation in silicon — •Aaron Flötotto1, Wichard J.D. Beenken1, Kevin Lauer1,2, and Erich Runge1 — 1Technische Universität Ilmenau, Institut für Physik, Ilmenau, Germany — 2CiS Forschungsinstitut für Mikrosensorik GmbH, Erfurt, Germany
Boron is a technologically highly relevant p-dopant of silicon. Often, boron does not simply replace a silicon atom, but forms a B-Si pair that shares one lattice site. Several metastable pair configurations exist, with boron being closer to either a more substitutional or a more interstitial position. Using DFT, we calculated all neutral and charged metastable configurations of these defects and – using the Nudged Elastic Band algorithm – the minimal-energy paths between them. The resulting energy minima, barrier heights, and conversion rates will be discussed within the ASi–Sii model for light-induced degradation (LiD) as suggested by K. Lauer et al. [1].
[1] for a recent review, see: K. Lauer, K. Peh, D. Schulze, T. Ortlepp, E. Runge, and S. Krischok, "The ASi–Sii Defect Model of Light-Induced Degradation (LID) in Silicon", phys. status solidi A 219, 2200099 (2022), https://doi.org/10.1002/pssa.202200099