10–14 Nov 2025
CERN
Europe/Zurich timezone

Investigation of point defects in silicon supercells using density functional theory

12 Nov 2025, 14:20
20m
6/2-024 - BE Auditorium Meyrin (CERN)

6/2-024 - BE Auditorium Meyrin

CERN

114
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Speaker

George Alexandru Nemnes (Horia Hulubei National Institute for R&D in Physics and Nuclear Engineering)

Description

Neutral and charged point defects in silicon supercells containing vacancies and/or extrinsic impurities (B, P, C, O) are investigated using density functional theory (DFT) calculations. We consider a number of defects and determine the formation energies and the transitions between the charged states. The electronic structure is analyzed in detail, the focus being on defects that can explain the acceptor removal process (ARP).

Type of presentation (in-person/online) online presentation (zoom)
Type of presentation (I. scientific results or II. project proposal) I. Presentation on scientific results

Authors

Dr Nicolae Filipoiu (Horia Hulubei National Institute for Physics and Nuclear Engineering, Magurele-Ilfov 077126, Romania (IFIN-HH)) Ms Mihaela Cosinschi (Horia Hulubei National Institute for Physics and Nuclear Engineering, Magurele-Ilfov 077126, Romania (IFIN-HH)) Mr Calin-Andrei Pantis-Simut (Horia Hulubei National Institute for Physics and Nuclear Engineering, Magurele-Ilfov 077126, Romania (IFIN-HH)) Dr Amanda Teodora Preda (Horia Hulubei National Institute for Physics and Nuclear Engineering, Magurele-Ilfov 077126, Romania (IFIN-HH)) Andrea Danu (Institute of Space Science - INFLPR Subsidiary) Dr Ioana Pintilie (National Institute of Materials Physics, Magurele, Ilfov 077125, Romania) George Alexandru Nemnes (Horia Hulubei National Institute for R&D in Physics and Nuclear Engineering)

Presentation materials