Tunable electronic structures in Type-II PtSe2/HfS2 van der Waals heterostructure by external electric field and strain

Xuan, Jinzhe; Luan, Lijun; He, Jing; Chen, Huaxin; Zhang, Yan; Liu, Jian; Tian, Ye; Liu, Chen; Ye, Yun; Wang, Xuqiang; Yuan, Chongrong; Duan, Li

doi:10.1016/j.physe.2022.115456

Cited by 16 publications

(7 citation statements)

References 48 publications

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“…It is pleasing to note that the heterojunction retains the type-II band alignment under negative E ext , as shown in figure 6(f). The CBM contacts the VBM allowing the bandgap to be closed at E ext = − 0.7 V Å −1 and the heterojunction achieved a semiconductor-metal transition, similarly result was observed for the PtS 2 /HfS 2 heterostructure [47].…”

Section: E Ext Effectssupporting

confidence: 69%

Tunable electronic and optical properties of MoTe₂/InSe heterostructure via external electric field and strain engineering

Liang

Wang

Wei

et al. 2023

J. Phys.: Condens. Matter

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Based on first-principles calculation under density functional theory (DFT), the geometry, electronic and optical properties of the MoTe2/InSe heterojunction have been investigated. The results reveal that the MoTe2/InSe heterojunction has a typical Type-Ⅱ band alignment and exhibits an indirect bandgap of 0.99 eV. In addition, the Z-scheme electron transport mechanism is capable of efficiently separating photogenerated carriers. The bandgap of the heterostructure changes regularly under applied electric field and exhibits a significant Giant Stark effect (GSE). Under an applied electric field of 0.5 V/Å, the band alignment of the heterojunction shifts from Type-Ⅱ to Type-I. The application of strain produced comparable changes in the heterojunction. More importantly, the transition from semiconductor to metal is completed in the heterostructure under the applied electric field and strain. Furthermore, the MoTe2/InSe heterojunction retains the optical properties of two monolayers and produces greater light absorption on this basis, especially for UV light. The above results offer a theoretical basis for the application of MoTe2/InSe heterostructure in the next generation of photodetectors.

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Section: E Ext Effectssupporting

confidence: 69%

Tunable electronic and optical properties of MoTe₂/InSe heterostructure via external electric field and strain engineering

Liang

Wang

Wei

et al. 2023

J. Phys.: Condens. Matter

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“…55) and PtSe 2 /HfS 2 (ref. 56) heterostructures have behaved similarly. In addition, we also calculated the electrostatic potential for the H4 and H6 stacking approach, as shown in Fig.…”

Section: Resultsmentioning

confidence: 94%

Theoretical design of a photodetector based on a two-dimensional SnSe₂/GaP type-II heterostructure

et al. 2023

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“…The absorption peak of the heterojunction is red-shifted with the increase of the compressive strain, which helps to improve the response sensitivity of the heterojunction to visible light, which has also occurred in PtSe2/HfS2. 46…”

Section: Resultsmentioning

confidence: 99%

“…The absorption peak of the heterojunction is redshifted with the increase of the compressive strain, which helps to improve the response sensitivity of the heterojunction to visible light, which has also occurred in PtSe2/HfS2. 46 As shown in Fig. 12(c), we calculated the light absorption coefficients at different electric field intensities.…”

Section: Effect Of Strain On Alas/gas Heterojunctionmentioning

confidence: 99%

Tunable electronic and optical properties of a type-II AlAs/GaS heterojunction: first-principles calculations

Wang¹,

Xuan²,

Wang³

et al. 2023

CrystEngComm

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Tunable electronic structures in Type-II PtSe2/HfS2 van der Waals heterostructure by external electric field and strain

Cited by 16 publications

References 48 publications

Tunable electronic and optical properties of MoTe₂/InSe heterostructure via external electric field and strain engineering

Tunable electronic and optical properties of MoTe₂/InSe heterostructure via external electric field and strain engineering

Theoretical design of a photodetector based on a two-dimensional SnSe₂/GaP type-II heterostructure

Tunable electronic and optical properties of a type-II AlAs/GaS heterojunction: first-principles calculations

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Tunable electronic structures in Type-II PtSe2/HfS2 van der Waals heterostructure by external electric field and strain

Cited by 16 publications

References 48 publications

Tunable electronic and optical properties of MoTe2/InSe heterostructure via external electric field and strain engineering

Tunable electronic and optical properties of MoTe2/InSe heterostructure via external electric field and strain engineering

Theoretical design of a photodetector based on a two-dimensional SnSe2/GaP type-II heterostructure

Tunable electronic and optical properties of a type-II AlAs/GaS heterojunction: first-principles calculations

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Tunable electronic and optical properties of MoTe₂/InSe heterostructure via external electric field and strain engineering

Tunable electronic and optical properties of MoTe₂/InSe heterostructure via external electric field and strain engineering

Theoretical design of a photodetector based on a two-dimensional SnSe₂/GaP type-II heterostructure