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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
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URI: https://cronfa.swan.ac.uk/Record/cronfa71070
first_indexed 2025-12-03T19:25:25Z
last_indexed 2025-12-05T18:13:21Z
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spelling 2025-12-04T08:35:06.3912387 v2 71070 2025-12-03 Density functional theory calculations of the bandstructure of cubic boron arsenide 09f615dd5540d8e38fba43e2764a02b4 ALEXANDER KING ALEXANDER KING true false 8fd99815709ad1e4ae52e27f63257604 0000-0002-7913-0953 Roland Gillen Roland Gillen true false 49890fbfbe127d4ae94bc10dc2b24199 0000-0002-2534-9626 Gregory Burwell Gregory Burwell true false ed2c658b77679a28e4c1dcf95af06bd6 0000-0003-4630-7692 Lijie Li Lijie Li true false 1329a42020e44fdd13de2f20d5143253 0000-0002-6333-9189 Karol Kalna Karol Kalna true false 2025-12-03 Journal Article Materials Today Physics 0 101962 Elsevier BV 2542-5293 Cubic boron arsenide; Density functional theory; Exchange–correlation functional; Spin–orbit coupling; Energy bandgap 3 12 2025 2025-12-03 10.1016/j.mtphys.2025.101962 COLLEGE NANME COLLEGE CODE Swansea University SU Library paid the OA fee (TA Institutional Deal) This work was supported by the Engineering and Physical Sciences Research Council [Grant Reference EP/T517987/1]. 2025-12-04T08:35:06.3912387 2025-12-03T19:23:58.3191661 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering ALEXANDER KING 1 Roland Gillen 0000-0002-7913-0953 2 Gregory Burwell 0000-0002-2534-9626 3 B.A. Niyikiza 4 F.J. Pan 5 Z.F. Ren 6 Lijie Li 0000-0003-4630-7692 7 Karol Kalna 0000-0002-6333-9189 8
title Density functional theory calculations of the bandstructure of cubic boron arsenide
spellingShingle Density functional theory calculations of the bandstructure of cubic boron arsenide
ALEXANDER KING
Roland Gillen
Gregory Burwell
Lijie Li
Karol Kalna
title_short Density functional theory calculations of the bandstructure of cubic boron arsenide
title_full Density functional theory calculations of the bandstructure of cubic boron arsenide
title_fullStr Density functional theory calculations of the bandstructure of cubic boron arsenide
title_full_unstemmed Density functional theory calculations of the bandstructure of cubic boron arsenide
title_sort Density functional theory calculations of the bandstructure of cubic boron arsenide
author_id_str_mv 09f615dd5540d8e38fba43e2764a02b4
8fd99815709ad1e4ae52e27f63257604
49890fbfbe127d4ae94bc10dc2b24199
ed2c658b77679a28e4c1dcf95af06bd6
1329a42020e44fdd13de2f20d5143253
author_id_fullname_str_mv 09f615dd5540d8e38fba43e2764a02b4_***_ALEXANDER KING
8fd99815709ad1e4ae52e27f63257604_***_Roland Gillen
49890fbfbe127d4ae94bc10dc2b24199_***_Gregory Burwell
ed2c658b77679a28e4c1dcf95af06bd6_***_Lijie Li
1329a42020e44fdd13de2f20d5143253_***_Karol Kalna
author ALEXANDER KING
Roland Gillen
Gregory Burwell
Lijie Li
Karol Kalna
author2 ALEXANDER KING
Roland Gillen
Gregory Burwell
B.A. Niyikiza
F.J. Pan
Z.F. Ren
Lijie Li
Karol Kalna
format Journal article
container_title Materials Today Physics
container_volume 0
container_start_page 101962
publishDate 2025
institution Swansea University
issn 2542-5293
doi_str_mv 10.1016/j.mtphys.2025.101962
publisher Elsevier BV
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering
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published_date 2025-12-03T05:28:44Z
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