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Atomistic Simulation of Defect Processes Involved in the Reaction-Diffusion-Drift Model of NBTI

Freire, Teofilo Cobos; Mahapatra, Souvik; Shluger, Alexander L; (2025) Atomistic Simulation of Defect Processes Involved in the Reaction-Diffusion-Drift Model of NBTI. In: 2024 IEEE International Integrated Reliability Workshop (IIRW). (pp. pp. 1-4). IEEE: South Lake Tahoe, CA, USA. Green open access

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Abstract

Density functional theory (DFT) simulations are used to model hole trapping reactions at hydrogencontaining defects in the bulk of amorphous SiO2 (a-SiO2) in the context of the reaction diffusion drift (RDD) model of NBTI. We report hole trapping, proton dynamics, and hydrogen release mechanisms related to bulk trap generation in the presence of hot holes, involving oxygen vacancies passivated by hydrogen (H2-VO) and water (H2O-VO). The charge transition levels (CTLs) and reaction barriers of these defect processes were calculated to predict their behavior under varying Fermi levels in metal-oxide-semiconductor field-effect transistors (MOSFETs) providing new insights into how these defects evolve during NBTI stress.

Type: Proceedings paper
Title: Atomistic Simulation of Defect Processes Involved in the Reaction-Diffusion-Drift Model of NBTI
Event: 2024 IEEE International Integrated Reliability Workshop (IIRW)
Dates: 6 Oct 2024 - 10 Oct 2024
ISBN-13: 979-8-3315-1716-8
Open access status: An open access version is available from UCL Discovery
DOI: 10.1109/IIRW62856.2024.10947139
Publisher version: https://doi.org/10.1109/iirw62856.2024.10947139
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions.
Keywords: DFT calculations; Defect reactions, NBTI, Amorphous SiO2
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy
URI: https://discovery.ucl.ac.uk/id/eprint/10209170
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