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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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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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
- rhenium dichalcogenides
- angle-resolved photoemission
- band structure