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Density functional theory calculations of the bandstructure of cubic boron arsenide

ALEXANDER KING, Roland Gillen Orcid Logo, Gregory Burwell Orcid Logo, B.A. Niyikiza, F.J. Pan, Z.F. Ren, Lijie Li Orcid Logo, Karol Kalna Orcid Logo

Materials Today Physics, Start page: 101962

Swansea University Authors: ALEXANDER KING, Roland Gillen Orcid Logo, Gregory Burwell Orcid Logo, Lijie Li Orcid Logo, Karol Kalna Orcid Logo

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Published in: Materials Today Physics
ISSN: 2542-5293
Published: Elsevier BV 2025
Online Access: Check full text

URI: https://cronfa.swan.ac.uk/Record/cronfa71070
Keywords: Cubic boron arsenide; Density functional theory; Exchange–correlation functional; Spin–orbit coupling; Energy bandgap
College: Faculty of Science and Engineering
Funders: This work was supported by the Engineering and Physical Sciences Research Council [Grant Reference EP/T517987/1].
Start Page: 101962