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Please use this identifier to cite or link to this item: https://dspace.lboro.ac.uk/2134/36320

Title: Atomistic insights of multiple stacking faults in CdTe thin-film photovoltaics: A DFT study
Authors: Watts, Michael J.
Yeandel, Stephen R.
Smith, Roger
Walls, Michael
Panchmatia, Pooja M.
Keywords: CdTe
Stacking faults
Density functional theory
Thin films
Issue Date: 2018
Publisher: © IEEE
Citation: WATTS, M.J. ... et al, 2018. Atomistic insights of multiple stacking faults in CdTe thin-film photovoltaics: A DFT study. IN: 2018 IEEE 7th World Conference on Photovoltaic Energy Conversion (WCPEC) (A Joint Conference of 45th IEEE PVSC, 28th PVSEC & 34th EU PVSEC), Waikoloa Village, HI, USA, 10-15 June 2018, pp.3884-3887.
Abstract: Stacking faults in CdTe were studied using DFT simulations. Twin and tetrahedral stacking fault energies are significantly lower than previously suggested, strongly correlating with their high density observed experimentally. No long range ordering was found for tetrahedral stacking faults while a resistance for polytype clustering was calculated. All experimentally observed faults were shown to be electronically benign when considered in isolation but increased density may produce shallow electron trap states.
Description: © 2018 IEEE. Personal use of this material is permitted. Permission from IEEE must be obtained for all other uses, in any current or future media, including reprinting/republishing this material for advertising or promotional purposes, creating new collective works, for resale or redistribution to servers or lists, or reuse of any copyrighted component of this work in other works.
Sponsor: This paper recognises the use of the “Hydra” High Performance System at Loughborough University. Via our membership of the UK’s HPC Midlands+ Consortium, which is funded by EPSRC (EP/P020232/1), this work used the Loughborough HPC resource, ATHENA. Additional funding was provided by Royal Society of Chemistry’s Solid State Chemistry Group.
Version: Accepted for publication
DOI: 10.1109/PVSC.2018.8547934
URI: https://dspace.lboro.ac.uk/2134/36320
Publisher Link: https://doi.org/10.1109/PVSC.2018.8547934
ISBN: 9781538685297
Appears in Collections:Conference Papers and Presentations (Chemistry)
Conference Papers and Presentations (Maths)

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