Indirect-direct band gap transition through electric tuning in bilayer MoS2

Zhang, Z. Y.; S., M.; Wang, Y. H.; Gao, Xing; Sung, Dongchul; Hong, Suklyun; He, Junjie

doi:10.1063/1.4873406

Cited by 44 publications

(31 citation statements)

References 27 publications

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“…5c and 5d. Similar phenomenon was clarified in our previous work [45]. It was demonstrated that the symmetry of the built-in electric dipole field controlled the indirect-direct bandgap transition in bilayer MoS 2 subjected to external electric fields.…”

Section: Resultsmentioning

confidence: 53%

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Bandgap engineering in van der Waals heterostructures of blue phosphorene and MoS2: A first principles calculation

Zhang

Peng

et al. 2015

Journal of Solid State Chemistry

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engineering in van der Waals heterostructures of blue phosphorene and MoS 2 : A first principles calculation, Journal of Solid State Chemistry, http://dx.Abstract Blue phosphorene (BP) was theoretically predicted to be thermally stable recently. Considering its similar in-layer hexagonal lattice to MoS 2 , MoS 2 could be appropriate substrate to grow BP in experiments. In this work, the van der Waals (vdW) heterostructures are constructed by stacking BP on top of MoS 2 . The thermal stability and electronic structures are evaluated based on first principles calculations with vdW-corrected exchange-correlation functional. The formation of the heterostructures is demonstrated to be exothermic and the most stable stacking configuration is confirmed. The heterostructures BP/MoS 2 preserve both the properties of BP and MoS 2 but exhibit relatively narrower bandgaps due to the interlayer coupling effect. The band structures can be further engineered by applying external electric fields. An indirect-direct bandgap transition in bilayer BP/MoS 2 is demonstrated controlled by the symmetry property of the built-in electric dipole fields.

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Section: Resultsmentioning

confidence: 53%

“…2a. While for the c-12 with external electric fields increasing, the bandgap width decreases until it finally closes due to the well known Stark effect [44,45]. In addition, before the bandgap closes at ∼0.71 eV/Å (see Fig.…”

Section: Resultsmentioning

confidence: 91%

Bandgap engineering in van der Waals heterostructures of blue phosphorene and MoS2: A first principles calculation

Zhang

Peng

et al. 2015

Journal of Solid State Chemistry

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“…The behaviour of bilayer MoS 2 in a layer perpendicular electric field has been well established by DFT studies: the band gap can be continuously reduced with increasing field strength5232425. This tuning of the band gap is so dramatic that both (i) a transition from indirect to direct band gap and (ii) full metalization can be observed (at 1–2 V/nm and 2–3 V/nm respectively, depending on the stacking type of the bilayer).…”

Section: Resultsmentioning

confidence: 92%

An anomalous interlayer exciton in MoS2

Azhikodan

Nautiyal

Shallcross

et al. 2016

Sci Rep

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The few layer transition metal dichalcogenides are two dimensional materials that have an intrinsic gap of the order of ≈2 eV. The reduced screening in two dimensions implies a rich excitonic physics and, as a consequence, many potential applications in the field of opto-electronics. Here we report that a layer perpendicular electric field, by which the gap size in these materials can be efficiently controlled, generates an anomalous inter-layer exciton whose binding energy is independent of the gap size. We show this originates from the rich gap control and screening physics of TMDCs in a bilayer geometry: gating the bilayer acts on one hand to increase intra-layer screening by reducing the gap and, on the other hand, to decrease the inter-layer screening by field induced charge depletion. This constancy of binding energy is both a striking exception to the universal reduction in binding energy with gap size that all materials are believed to follow, as well as evidence of a degree of control over inter-layer excitons not found in their well studied intra-layer counterparts.

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“…Also, it would be of great interest for valleytronic applications via achieving degenerate energy valleys at different k-points. [21][22][23][24] Second, the indirect-direct bandgap transition observed in arsenene nanoribbons provides researchers with solid evidence to engineer the bandgap properties of similarly puckered structures or other non-planar structures. Future experiments can test our proposal directly.…”

Section: Electronic Structures Of Zanrsmentioning

confidence: 99%

Orientation and strain modulated electronic structures in puckered arsenene nanoribbons

et al. 2015

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Orthorhombic arsenene was recently predicted as an indirect bandgap semiconductor. Here, we demonstrate that nanostructuring arsenene into nanoribbons successfully transform the bandgap to be direct. It is found that direct bandgaps hold for narrow armchair but wide zigzag nanoribbons, which is dominated by the competition between the in-plane and out-of-plane bondings. Moreover, straining the nanoribbons also induces a direct bandgap and simultaneously modulates effectively the transport property. The gap energy is largely enhanced by applying tensile strains to the armchair structures. In the zigzag ones, a tensile strain makes the effective mass of holes much higher while a compressive strain cause it much lower than that of electrons. Our results are crucial to understand and engineer the electronic properties of two dimensional materials beyond the planar ones like graphene.

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Indirect-direct band gap transition through electric tuning in bilayer MoS2

Cited by 44 publications

References 27 publications

Bandgap engineering in van der Waals heterostructures of blue phosphorene and MoS2: A first principles calculation

Bandgap engineering in van der Waals heterostructures of blue phosphorene and MoS2: A first principles calculation

An anomalous interlayer exciton in MoS2

Orientation and strain modulated electronic structures in puckered arsenene nanoribbons

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