Controllable electronic properties, contact barriers and contact types in a TaSe<sub>2</sub>/WSe<sub>2</sub> metal–semiconductor heterostructure

Nguyen, Son T.; Cuong Q., Nguyen; N. Hieu, Nguyen; Phuc, H. V.; Nguyen, Ch. V.

doi:10.1039/d4cp00122b

Cited by 2 publications

(1 citation statement)

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“…Recently, numerous metal/semiconductor (MS) bilayer heterostructures such as, TaSe 2 /WSe 2 , NbS 2 /BSe, graphene/MoSi 2 As 4 , Al 2 O 3 /GaN, MS 2 /borophosphene, MSSe/borophosphene (M = Cr, Mo, W), BlueP/MoSSe, tellurene/TeSe 2 , and graphene/MoSi 2 X 4 (X = N, P, and As) have been reported to possess Schottky contacts. The previous reports highlight the Schottky to Ohmic contact modulation by factors such as varying interlayer distance, applying tensile or compressive strain, and applying an external electric field.…”

Section: Introductionmentioning

confidence: 99%

Computational Insights into Schottky Barrier Heights: Graphene and Borophene Interfaces with H- and H́-XSi₂N₄ (X = Mo, W) Monolayers

Jalil,

Zhao,

Firdous

et al. 2024

Langmuir

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The two-dimensional (2D) semiconducting family of XSi 2 N 4 (X = Mo and W), an emergent class of air-stable monolayers, has recently gained attention due to its distinctive structural, mechanical, transport, and optical properties. However, the electrical contact between XSi 2 N 4 and metals remains a mystery. In this study, we inspect the electronic and transport properties, specifically the Schottky barrier height (SBH) and tunneling probability, of XSi 2 N 4 -based van der Waals contacts by means of first-principles calculations. Our findings reveal that the electrical contacts of XSi 2 N 4 with metals can serve as the foundation for nanoelectronic devices with ultralow SBHs. We further analyzed the tunneling probability of different metal contacts with XSi 2 N 4 . We found that the H-phase XSi 2 N 4 /metal contact shows superior tunneling probability compared to that of H ́-based metal contacts. Our results suggest that heterostructures at interfaces can potentially enable efficient tunneling barrier modulation in metal contacts, particularly in the case of MoSi 2 N 4 /borophene compared to MoSi 2 N 4 / graphene and WSi 2 N 4 /graphene in transport-efficient electronic devices. Among the studied heterostructures, tunneling efficiency is highest at the H and H ́-MoSi 2 N 4 /borophene interfaces, with barrier heights of 2.1 and 1.52 eV, respectively, and barrier widths of 1.04 and 0.8 Å. Furthermore, the tunneling probability for these interfaces was identified to be 21.3 and 36.4%, indicating a good efficiency of carrier injection. Thus, our study highlights the potential of MoSi 2 N 4 /borophene contact in designing power-efficient Ohmic devices.

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Section: Introductionmentioning

confidence: 99%

Computational Insights into Schottky Barrier Heights: Graphene and Borophene Interfaces with H- and H́-XSi₂N₄ (X = Mo, W) Monolayers

Jalil,

Zhao,

Firdous

et al. 2024

Langmuir

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Achieving ultra-low contact barriers in MX₂/SiH (M = Nb, Ta; X = S, Se) metal–semiconductor heterostructures: first-principles prediction

Nguyen,

Phuc

et al. 2024

Nanoscale Adv.

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Controllable electronic properties, contact barriers and contact types in a TaSe₂/WSe₂ metal–semiconductor heterostructure

Abstract: Herein, we design a metal–semiconductor heterostructure combining metallic TaSe2 and semiconducting WSe2 materials and investigate its atomic structure, electronic properties and controllable contact types using first-principles calculations.

Cited by 2 publications

References 60 publications

Computational Insights into Schottky Barrier Heights: Graphene and Borophene Interfaces with H- and H́-XSi₂N₄ (X = Mo, W) Monolayers

Computational Insights into Schottky Barrier Heights: Graphene and Borophene Interfaces with H- and H́-XSi₂N₄ (X = Mo, W) Monolayers

Achieving ultra-low contact barriers in MX₂/SiH (M = Nb, Ta; X = S, Se) metal–semiconductor heterostructures: first-principles prediction

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Controllable electronic properties, contact barriers and contact types in a TaSe2/WSe2 metal–semiconductor heterostructure

Abstract: Herein, we design a metal–semiconductor heterostructure combining metallic TaSe2 and semiconducting WSe2 materials and investigate its atomic structure, electronic properties and controllable contact types using first-principles calculations.

Cited by 2 publications

References 60 publications

Computational Insights into Schottky Barrier Heights: Graphene and Borophene Interfaces with H- and H́-XSi2N4 (X = Mo, W) Monolayers

Computational Insights into Schottky Barrier Heights: Graphene and Borophene Interfaces with H- and H́-XSi2N4 (X = Mo, W) Monolayers

Achieving ultra-low contact barriers in MX2/SiH (M = Nb, Ta; X = S, Se) metal–semiconductor heterostructures: first-principles prediction

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Controllable electronic properties, contact barriers and contact types in a TaSe₂/WSe₂ metal–semiconductor heterostructure

Computational Insights into Schottky Barrier Heights: Graphene and Borophene Interfaces with H- and H́-XSi₂N₄ (X = Mo, W) Monolayers

Computational Insights into Schottky Barrier Heights: Graphene and Borophene Interfaces with H- and H́-XSi₂N₄ (X = Mo, W) Monolayers

Achieving ultra-low contact barriers in MX₂/SiH (M = Nb, Ta; X = S, Se) metal–semiconductor heterostructures: first-principles prediction