Electronic Band Structure of Rhenium Dichalcogenides

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

doi:10.1007/s11664-018-6239-0

Cited by 21 publications

(29 citation statements)

References 32 publications

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“…This is in agreement with recent studies considering the whole 3D Brillouin zone, which also found an indirect band gap with the VBM outside the symmetry points. 27,64 While the exact coordinates of the VBM are not mentioned in these studies, they are qualitatively close to the J2 k-point reported in the present work. Another study found two energetically degenerate VBM from ARPES measurements, one at Z and another off the symmetry points.…”

Section: First-principle Calculationssupporting

confidence: 87%

“…24,29,34,67,68 It has also been suggested that the indirect and the direct band gap are close in energy, and the discussion about the nature of the fundamental band gap for ReSe2 is still ongoing. 64,68,69,67 Thus, a careful analysis of the 3D Brillouin zone is critical before making a decision on the nature of the band gap. Our calculations reveal that the lowest-energy direct band gap is located at a k-point off the symmetry lines (J1: 0.02941, 0.14706, −0.20588, see Table 1.)…”

Section: First-principle Calculationsmentioning

confidence: 99%

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Pressure dependence of direct optical transitions in ReS2 and ReSe2

et al. 2019

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We present an experimental and theoretical study of the electronic band structure of ReS2 and ReSe2 at high hydrostatic pressures. The experiments are performed by photoreflectance spectroscopy and are analyzed in terms of ab initio calculations within the density functional theory. Experimental pressure coefficients for the two most dominant excitonic transitions are obtained and compared with those predicted by the calculations. We assign the transitions to the Z k-point of the Brillouin zone and other k-points located away from highsymmetry points. The origin of the pressure coefficients of the measured direct transitions is discussed in terms of orbital analysis of the electronic structure and van der Waals interlayer interaction. The anisotropic optical properties are studied at high pressure by means of polarization-resolved photoreflectance measurements. 1. The coordinates of the high-symmetry k-points can be found in the S.I. (Table S1).

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Section: First-principle Calculationssupporting

confidence: 87%

Section: First-principle Calculationsmentioning

confidence: 99%

Pressure dependence of direct optical transitions in ReS2 and ReSe2

et al. 2019

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“…Kinetic energy cutoffs were, typically, >800 eV. More computational details are given elsewhere [30,31] where results using scalarand fully-relativisitic pseudopotentials are compared. Here, scalar-relativistic pseudopotentials were chosen in order to obtain wave-function projections onto atomic states classified only by orbital angular momentum (i.e, without spin).…”

Section: Methodsmentioning

confidence: 99%

Interplay of crystal thickness and in-plane anisotropy and evolution of quasi-one-dimensional electronic character inReSe2

et al. 2021

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We study the valence band structure of ReSe 2 crystals with varying thickness down to a single layer using nanoscale angle-resolved photoemission spectroscopy and density functional theory. The width of the top valence band in the direction perpendicular to the rhenium chains decreases with decreasing number of layers, from ∼200 meV for the bulk to ∼80 meV for monolayer. This demonstrates increase of in-plane anisotropy induced by changes in the interlayer coupling and suggests progressively more one-dimensional character of electronic states in few-layer rhenium dichalcogenides.

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“…Recent computational and experimental studies address controversies on the band gap of ReS 2 [8,9,10,11]. Unlike early literature reports, such calculations revealed a layer dependence of the valence band maximum (VBM) position in ReS 2 and indirect band gap character for bulk ReS 2 [12,13,14]. Recently, ReS 2 -based FET devices have attracted interest [15,16,17,18,19,20,21,22], with a room temperature I on /I off ratio on the order of ~10 5 using few-layer ReS 2 flakes and Al 2 O 3 as the high-κ top-gate dielectric [15].…”

Section: Introductionmentioning

confidence: 99%

High-κ Dielectric on ReS2: In-Situ Thermal Versus Plasma-Enhanced Atomic Layer Deposition of Al2O3

et al. 2019

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We report an excellent growth behavior of a high-κ dielectric on ReS2, a two-dimensional (2D) transition metal dichalcogenide (TMD). The atomic layer deposition (ALD) of an Al2O3 thin film on the UV-Ozone pretreated surface of ReS2 yields a pinhole free and conformal growth. In-situ half-cycle X-ray photoelectron spectroscopy (XPS) was used to monitor the interfacial chemistry and ex-situ atomic force microscopy (AFM) was used to evaluate the surface morphology. A significant enhancement in the uniformity of the Al2O3 thin film was deposited via plasma-enhanced atomic layer deposition (PEALD), while pinhole free Al2O3 was achieved using a UV-Ozone pretreatment. The ReS2 substrate stays intact during all different experiments and processes without any formation of the Re oxide. This work demonstrates that a combination of the ALD process and the formation of weak S–O bonds presents an effective route for a uniform and conformal high-κ dielectric for advanced devices based on 2D materials.

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Electronic Band Structure of Rhenium Dichalcogenides

Cited by 21 publications

References 32 publications

Pressure dependence of direct optical transitions in ReS2 and ReSe2

Pressure dependence of direct optical transitions in ReS2 and ReSe2

Interplay of crystal thickness and in-plane anisotropy and evolution of quasi-one-dimensional electronic character inReSe2

High-κ Dielectric on ReS2: In-Situ Thermal Versus Plasma-Enhanced Atomic Layer Deposition of Al2O3

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