Structure and Electronic Properties of Domain Walls and Stacking Fault Defects in Prospective Photoferroic Materials Bournonite and Enargite

Keith Patrick McKenna (Creator)
Thomas Richards-Hlabangana (Creator)

Physics

Dataset

Description

Structures, input and key output files for DFT calculations of extended defects in Bournonite and Enargite.

Date made available	18 Oct 2022
Publisher	University of York
Date of data production	2020 - 2022

Contact

[email protected]

DOI
10.15124/ed070510-2d98-4720-9087-6b86454bc4f9

Access Dataset

JAP_bournonite_enargite.tar.gz
File: application/x-gzip, 209 MB
Type: Dataset
Licence: CC BY

1 Article

Structure and electronic properties of domain walls and stacking fault defects in prospective photoferroic materials bournonite and enargite
Rigby, O. M., Richards-Hlabangana, T., Ramasse, Q. M., MacLaren, I., Lomas-Zapata, R. A., Rumsey, M. S., McKenna, K. P. & Mendis, B. G., 8 Nov 2022, (E-pub ahead of print) In: Journal of Applied Physics. 132, 18, 10 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File

1 Finished

High-throughput screening of polycrystalline solar absorbers (Ext.)
McKenna, K. P.
EPSRC
1/01/18 → 31/03/21
Project: Research project (funded) › Research

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