2015
DOI: 10.1103/physrevb.92.115438
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Quasiparticle band gaps, excitonic effects, and anisotropic optical properties of the monolayer distorted1Tdiamond-chain structuresReS2andReSe2

Abstract: We report many-body perturbation theory calculations of excited-state properties of distorted 1-T diamond-chain monolayer rhenium disulfide (ReS 2 ) and diselenide (ReSe 2 ). Electronic selfenergy substantially enhances their quasiparticle band gaps and, surprisingly, converts monolayer ReSe 2 to a direct-gap semiconductor, which was, however, regarded to be an indirect one by density-functional-theory calculations. Their optical absorption spectra are dictated by strongly bound excitons. Unlike hexagonal stru… Show more

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Cited by 140 publications
(101 citation statements)
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“…1c). The absorption peaks, labeled as X 1 and X 2 , arise from the two lowest, energetically nondegenerate direct exciton states near Γ point27 and show strong polarization dependence as reported by Aslan et al 28. Corresponding θ -dependent Lorentzian spectral weights clearly reveal their linear nature (Fig.…”
supporting
confidence: 60%
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“…1c). The absorption peaks, labeled as X 1 and X 2 , arise from the two lowest, energetically nondegenerate direct exciton states near Γ point27 and show strong polarization dependence as reported by Aslan et al 28. Corresponding θ -dependent Lorentzian spectral weights clearly reveal their linear nature (Fig.…”
supporting
confidence: 60%
“…ReS 2 is a member of a recently emerged family of group VII 2D TMDs2223242526272829. Unlike molybdenum and tungsten dichalcogenides, group VI TMDs with hexagonal structure, ReS 2 exhibits reduced in-plane crystal symmetry with a distorted 1T structure forming Re atom chains (bluish green dots in Fig.…”
mentioning
confidence: 99%
“…As a result, ReS2 is active in capturing photons within near-infrared frequency regimes and is therefore expected to be useful for optoelectronic applications. [73] Apart from abosrption anisotropy, photolumenscence (PL) emission spectra show significant difference with that of conventional TMDs. For group VI TMDs, the emission 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 intensity is increased in monlayer by an order of magnitude compared with the bulk due to crossover from indirect to direct band gap transition.…”
Section: Excitonic and Absorption Propertiesmentioning
confidence: 99%
“…Thus, the Re-TMDs promise a new means to control SO effects in few-layer semiconductor heterostructures. Being highly anisotropic 2D materials, they also offer new possibilities as hyperbolic plasmonic materials 16 or polarisation-sensitive photodetectors 17,18,19,20 . Interest in anisotropic 2D materials is growing rapidly, with the isolation of few-layer black phosphorus and analogues such as GeS; relative to these materials, however, we find ReS2 and ReSe2 are more promising because they are stable in air 21 .…”
mentioning
confidence: 99%