Direct Observation of the Band Gap Transition in Atomically Thin ReS<sub>2</sub>

Gehlmann, Mathias; Aguilera, Irene; Bihlmayer, Gustav; Nemšák, Slavomír; Nagler, Philipp; Gospodarič, Pika; Zamborlini, Giovanni; Eschbach, Markus; Feyer, Vitaliy; Kronast, Florian; Młyńczak, Ewa; Korn, Tobias; Pluciński, Ł.; Schüller, Christian; Blügel, Stefan; Schneider, Claus M.

doi:10.1021/acs.nanolett.7b00627

Cited by 74 publications

(102 citation statements)

References 41 publications

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“…While finalizing our work, a paper appeared on arXiv that also reported a non-negligible out-of-plane dispersion of ReS 2 [49]. Their data seem to be consistent with ours.…”

Section: Discussionsupporting

confidence: 83%

Narrow-band anisotropic electronic structure of ReS2

et al. 2017

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We have used angle-resolved photoemission spectroscopy to investigate the band structure of ReS 2 , a transitionmetal dichalcogenide semiconductor with a distorted 1T crystal structure. We find a large number of narrow valence bands, which we attribute to the combined influence of structural distortion and spin-orbit coupling. We further show how this leads to a strong in-plane anisotropy of the electronic structure, with quasi-one-dimensional bands reflecting predominant hopping along zigzag Re chains. We find that this does not persist up to the top of the valence band, where a more three-dimensional character is recovered with the fundamental band gap located away from the Brillouin zone center along k z . These experiments are in good agreement with our density-functional theory calculations, shedding light on the bulk electronic structure of ReS 2 , and how it can be expected to evolve when thinned to a single layer.

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“…While finalizing our work, a paper appeared on arXiv that also reported a non-negligible out-of-plane dispersion of ReS 2 [49]. Their data seem to be consistent with ours.…”

Section: Discussionsupporting

confidence: 83%

Narrow-band anisotropic electronic structure of ReS2

et al. 2017

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“…Note added. Recently, two more reports of ARPES studies of ReS 2 in bulk and thin-layer forms appeared on arXiv (both now published) which confirm the three-dimensional dispersion of the valence band structure [41] and, for the bulk material, indicate via Rb-doping that the band extrema are indeed located at Z, as proposed above [42].…”

Section: Discussionmentioning

confidence: 57%

Electronic band structure of ReS2 by high-resolution angle-resolved photoemission spectroscopy

et al. 2017

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The rhenium-based transition metal dichalcogenides (TMDs) are atypical of the TMD family due to their highly anisotropic crystalline structure and are recognized as promising materials for two-dimensional heterostructure devices. The nature of the band gap (direct or indirect) for bulk, few-, and single-layer forms of ReS 2 is of particular interest, due to its comparatively weak interplanar interaction. However, the degree of interlayer interaction and the question of whether a transition from indirect to direct gap is observed on reducing thickness (as in other TMDs) are controversial. We present a direct determination of the valence band structure of bulk ReS 2 using high-resolution angle-resolved photoemission spectroscopy. We find a clear in-plane anisotropy due to the presence of chains of Re atoms, with a strongly directional effective mass which is larger in the direction orthogonal to the Re chains (2.2m e ) than along them (1.6m e ). An appreciable interplane interaction results in an experimentally measured difference of ≈100−200 meV between the valence band maxima at the Z point (0,0, 1 2 ) and the point (0,0,0) of the three-dimensional Brillouin zone. This leads to a direct gap at Z and a close-lying but larger gap at , implying that bulk ReS 2 is marginally indirect. This may account for recent conflicting transport and photoluminescence measurements and the resulting uncertainty about the nature of the band gap in this material.

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“…From our first‐principle calculations with G 0 W 0 approximation (Figure S4, Supporting Information), we found that the bilayer AA stacking ReS 2 has a direct bandgap while bilayer AB stacking has an indirect bandgap. This suggests that the bilayer sample studied by Gehlmann et al [ 44 ] has AA stacking. Wang et al studied a 3L ReS 2 with Raman and PL.…”

Section: Figurementioning

confidence: 88%

Stacking‐Order‐Driven Optical Properties and Carrier Dynamics in ReS₂

et al. 2020

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textTwo distinct stacking orders in ReS2 are identified without ambiguity and their influence on vibrational, optical properties and carrier dynamics are investigated. With atomic resolution scanning transmission electron microscopy (STEM), two stacking orders are determined as AA stacking with negligible displacement across layers, and AB stacking with about a one-Received: ((will be filled in by the editorial staff)) Revised: ((will be filled in by the editorial staff)) Published online: ((will be filled in by the editorial staff))

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Direct Observation of the Band Gap Transition in Atomically Thin ReS₂

Cited by 74 publications

References 41 publications

Narrow-band anisotropic electronic structure of ReS2

Narrow-band anisotropic electronic structure of ReS2

Electronic band structure of ReS2 by high-resolution angle-resolved photoemission spectroscopy

Stacking‐Order‐Driven Optical Properties and Carrier Dynamics in ReS₂

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Direct Observation of the Band Gap Transition in Atomically Thin ReS2

Cited by 74 publications

References 41 publications

Narrow-band anisotropic electronic structure of ReS2

Narrow-band anisotropic electronic structure of ReS2

Electronic band structure of ReS2 by high-resolution angle-resolved photoemission spectroscopy

Stacking‐Order‐Driven Optical Properties and Carrier Dynamics in ReS2

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Direct Observation of the Band Gap Transition in Atomically Thin ReS₂

Stacking‐Order‐Driven Optical Properties and Carrier Dynamics in ReS₂