Journal Article

FZJ-2022-03911

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Structural, electronic and topological properties of 3D TmBi compound

Ragragui, M. ; Drissi, L. B. (Corresponding author)FZJ* ; Saidi, E. H. ; Lounis, S.FZJ*

2022
Springer Heidelberg

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Please use a persistent id in citations: http://hdl.handle.net/2128/32468  doi:10.1140/epjp/s13360-022-02911-4

Abstract: Using density functional theory-based methods, we report the structural, electronic and topological properties of the FCCcrystal compound TmBi. This material is found to be dynamically stable and shows a non-magnetic semimetallic character. Bytuning the spin–orbit coupling, we observe a significant change in the band structure, and the occurrence of band inversion along − X direction. The parity product at time-reversal invariant momentum points and the Wannier charge center calculations providea topological index Z2 = 1 on the k j = 0 plane (with j = 1, 2 and 3) revealing the non-trivial topological character of TmBi. Theexistence of topologically protected surface states of TmBi through the observation of a Dirac cones at ̄X point confirms our finding.The present work could inspire platforms for exploring novel topological states within the family of rare-earth monobismuthides:

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IAS-1)
2. Quanten-Theorie der Materialien (PGI-1)
3. JARA-FIT (JARA-FIT)
4. JARA - HPC (JARA-HPC)

Research Program(s):

1. 5211 - Topological Matter (POF4-521) (POF4-521)

Appears in the scientific report 2022

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Database coverage:
; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; DEAL Springer ; Essential Science Indicators ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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