2014
DOI: 10.1039/c4cp00089g
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Tunable band gaps in silicene–MoS2heterobilayers

Abstract: The geometric and electronic properties of silicene paired with a MoS2 substrate are studied systematically by using density functional theory with van der Waals corrections. It is found that the nearly linear band dispersions can be preserved in the heterobilayers due to the weak interface interactions. Meanwhile, the band gap is opened because of the sublattice symmetry broken by the intrinsic interface dipole. Moreover, the band gap values could be effectively modulated under an external electric field. The… Show more

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Cited by 125 publications
(108 citation statements)
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References 59 publications
(79 reference statements)
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“…Also, interlayer interactions in hybrid silicene/graphene nanocomposite layers induce charge carriers whose concentration is tunable by controlling the interlayer distance [7]. Interfacial phenomena such as formation of interface dipole [8], structural corrugation [9][10][11][12], charge puddles [13][14][15][16], and edge-localised dangling bond states [17,18] play important roles in typical transistor device applications. The absence of the band gap in graphene means that electrons always interact strongly with the substrate making charge tunable device properties hard to achieve.…”
Section: Introductionmentioning
confidence: 99%
“…Also, interlayer interactions in hybrid silicene/graphene nanocomposite layers induce charge carriers whose concentration is tunable by controlling the interlayer distance [7]. Interfacial phenomena such as formation of interface dipole [8], structural corrugation [9][10][11][12], charge puddles [13][14][15][16], and edge-localised dangling bond states [17,18] play important roles in typical transistor device applications. The absence of the band gap in graphene means that electrons always interact strongly with the substrate making charge tunable device properties hard to achieve.…”
Section: Introductionmentioning
confidence: 99%
“…Up to now, significant experimental and theoretical efforts have been made to characterize and explore new structures, properties and applications of 2D van der Waals heterojunctions, especially graphene based heterojunctions, such as graphene/hexagonal boron nitride (G/h-BN) [54][55][56][57][58], graphene/silicene (G/S) [59][60][61], graphene/phosphorene (G/P) [62][63][64], graphene/graphitic carbon nitride (G/g-C 3 N 4 ) [65][66][67], graphene/graphitic zinc oxide (G/g-ZnO) [68][69][70], graphene/molybdenum disulphide (G/MoS 2 ) [71][72][73][74][75], graphene/molybdenum disulfide (G/MoSe 2 ) [76][77][78], silicene/hexagonal boron nitride (S/h-BN) [79][80][81], silicene/molybdenum disulphide (S/MoS 2 ) [82][83][84], and TMDCs based heterojunctions [85][86][87]. These van der Waals heterojunctions show much more new properties far beyond their single components.…”
Section: Introductionmentioning
confidence: 99%
“…According to Gao et al (2014b), induced band gap of silicene/MoS 2 is considerable 70 meV compared to the room temperature thermal scale (26 meV) and graphene/MoS 2 (nearly zero) (Ma et al, 2011), which result in improved onoff ratio. The band gap opening in silicene/MoS 2 is explained by plane-integrated electron density difference.…”
Section: Silicene On Mosmentioning
confidence: 99%
“…Because MoS 2 is a semiconductor with a considerable band gap, researchers pay attention to MoS 2 as a substrate for silicene Li et al, 2013b;Chiappe et al, 2014;Gao et al, 2014aGao et al, , 2014bJose & Datta, 2014;Li & Zhao, 2014;Li et al, 2014c). The most stable configuration in silicene/MoS 2 heterostructure is one Si atom is directly on S atom, and other Si atom is located above the hollow site of MoS 2 (Li et al, 2014c).…”
Section: Silicene On Mosmentioning
confidence: 99%