2018
DOI: 10.1039/c7nr09486h
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InSe: a two-dimensional material with strong interlayer coupling

Abstract: Atomically thin, two-dimensional (2D) indium selenide (InSe) has attracted considerable attention due to the large tunability in the band gap (from 1.4 to 2.6 eV) and high carrier mobility. The intriguingly high dependence of the band gap on layer thickness may lead to novel device applications, although its origin remains poorly understood, and is generally attributed to the quantum confinement effect. In this work, we demonstrate via first-principles calculations that strong interlayer coupling may be mainly… Show more

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Cited by 117 publications
(103 citation statements)
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“…For InSe, in particular, we observe that the formation of bilayers reduces the difference between direct and indirect band gaps from 0.07 eV in the monolayer system to 0.04 eV in bilayer, which is consistent with the indirectto-direct band gap crossover, as the number of layers is increased, obtained in previous DFT-PBE calculations reported in Refs. [11,27]. Regarding the structural properties, we did not find any significant change in the structural parameters (lattice constant, bond length, layer thickness) upon the formation of bilayers, as can be seen in Table S2 in the Supplemental Material; similar finding was reported in a previous DFT-PBE study for bilayer and trilayer GaS and GaSe [28].…”
Section: A Monolayer Gas Gase Ins and Insesupporting
confidence: 88%
See 1 more Smart Citation
“…For InSe, in particular, we observe that the formation of bilayers reduces the difference between direct and indirect band gaps from 0.07 eV in the monolayer system to 0.04 eV in bilayer, which is consistent with the indirectto-direct band gap crossover, as the number of layers is increased, obtained in previous DFT-PBE calculations reported in Refs. [11,27]. Regarding the structural properties, we did not find any significant change in the structural parameters (lattice constant, bond length, layer thickness) upon the formation of bilayers, as can be seen in Table S2 in the Supplemental Material; similar finding was reported in a previous DFT-PBE study for bilayer and trilayer GaS and GaSe [28].…”
Section: A Monolayer Gas Gase Ins and Insesupporting
confidence: 88%
“…On the other hand, for InS and InSe the formation of bi-layers is detrimental for water splitting as the CBM of the monolayers are already too close to the H + /H 2 redox potential [6] and the downward shift caused by the bilayer formation may bring the CBM below the H + /H 2 potential. The narrowing of the gaps observed in the homobilayers is consistent with the smaller band gaps of the bulk systems in comparison with the monolayers [8,27]. For InSe, in particular, we observe that the formation of bilayers reduces the difference between direct and indirect band gaps from 0.07 eV in the monolayer system to 0.04 eV in bilayer, which is consistent with the indirectto-direct band gap crossover, as the number of layers is increased, obtained in previous DFT-PBE calculations reported in Refs.…”
Section: A Monolayer Gas Gase Ins and Insesupporting
confidence: 78%
“…In particular, the band edge recombination is very sensitive to the layer thickness due to quantum confinement and strong interlayer coupling in the InSe nanosheets. [ 3,32 ]…”
Section: Resultsmentioning
confidence: 99%
“…The bulk InSe is a direct bandgap, and the bandgap value is suitably 1.25 eV, which is suitable for making a light‐emitting device. [ 26 ] In addition, experiments and theories have proved that due to the quantum confinement effect, as the number of InSe layers is reduced to few layers, it will undergo a transition from the direct bandgap to the indirect bandgap, and the bandgap value increases to 2.6 eV, [ 27–29 ] which makes it have a broad prospect in the application of optoelectronics. Hybridization of the In and Se atomic orbitals results in a relatively light electron effective electron mass (0.143 m 0 ) [ 30 ] in the plane of the layer, which results in a field effect transistor fabricated using multiple layers of InSe with high electron mobility rate (10 3 cm 2 V −1 s −1) ) [ 20 ] and on/off current ratio (10 8 ) [ 31 ] over the transition metal disulfide at room temperature.…”
Section: Introductionmentioning
confidence: 99%