Electronic Band Structure of Rhenium Dichalcogenides

Gunasekera, Surani M.; Wolverson, Daniel; Hart, Lewis S.; Mucha-Kruczynski, Marcin

doi:10.1007/s11664-018-6239-0

Topical Collection: 18th International Conference on II-VI Compounds
Open Access
Published: 22 March 2018

Electronic Band Structure of Rhenium Dichalcogenides

Surani M. Gunasekera¹,
Daniel Wolverson ORCID: orcid.org/0000-0002-5578-6018¹,
Lewis S. Hart¹ &
…
Marcin Mucha-Kruczynski¹

Journal of Electronic Materials volume 47, pages 4314–4320 (2018)Cite this article

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Abstract

The band structures of bulk transition metal dichalcogenides ReS₂ and ReSe₂ are presented, showing the complicated nature of interband transitions in these materials, with several close-lying band gaps. Three-dimensional plots of constant energy surfaces in the Brillouin zone at energies near the band extrema are used to show that the valence band maximum and conduction band minimum may not be located at special high symmetry points. We find that both materials are indirect gap materials and that one must be careful to consider the whole Brillouin zone volume in addressing this question.

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Acknowledgements

This work was supported by the Centre for Graphene Science of the Universities of Bath and Exeter and by the Engineering and Physical Sciences Research Council EPSRC (UK) under Grants Nos. EP/G036101, EP/M022188, and EP/P004830; S.M.G. and L.S.H. are supported by the Bath-Bristol Centre for Doctoral Training in Condensed Matter Physics, Grant No. EP/L015544. Associated experimental studies were supported by the award of beam time at the DIAMOND (IO5) and SOLEIL (ANTARES) synchrotron beam lines and by EPSRC Grant No. EP/P004830/1. Computational work was performed on the University of Bath’s High Performance Computing Facility. Data created during this research are freely available from the University of Bath data archive at https://doi.org/10.15125/bath-00331, https://doi.org/10.15125/bath-00332.

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Authors and Affiliations

Centre for Nanoscience and Nanotechnology, Department of Physics, University of Bath, Bath, BA2 7AY, UK
Surani M. Gunasekera, Daniel Wolverson, Lewis S. Hart & Marcin Mucha-Kruczynski

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Surani M. Gunasekera
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Daniel Wolverson
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Lewis S. Hart
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Marcin Mucha-Kruczynski
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Correspondence to Daniel Wolverson.

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Gunasekera, S.M., Wolverson, D., Hart, L.S. et al. Electronic Band Structure of Rhenium Dichalcogenides. J. Electron. Mater. 47, 4314–4320 (2018). https://doi.org/10.1007/s11664-018-6239-0

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Received: 31 December 2017
Accepted: 14 March 2018
Published: 22 March 2018
Issue Date: August 2018
DOI: https://doi.org/10.1007/s11664-018-6239-0

Keywords

ReSe₂
ReS₂
rhenium dichalcogenides
angle-resolved photoemission
band structure