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Nano Research 2017, 10(11): 3909-3919 https://doi.org/10.1007/s12274-017-1605-4
Research Article | Issue | Published: 27 June 2017

Two-dimensional square transition metal dichalcogenides with lateral heterostructures

Show Author's Information Qilong Sun1,  Ying Dai1( ),  Na Yin1,  Lin Yu1,  Yandong Ma1,  Wei Wei1,  Baibiao Huang2
School of Physics Shandong University Jinan 250100 China
State Key Laboratory of Crystal Materials Shandong University Jinan 250100 China
Keywords:
density functional theory, black phosphorus, two-dimensional, transition metal dichalcogenide, lateral heterostructure
Cite this article:
Sun Q, Dai Y, Yin N, et al. Two-dimensional square transition metal dichalcogenides with lateral heterostructures. Nano Research, 2017, 10(11): 3909-3919. https://doi.org/10.1007/s12274-017-1605-4
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Abstract Full text About this article

Fabrication of lateral heterostructures (LHS) is promising for a wide range of next-generation devices and could sufficiently unlock the potential of two-dimensional materials. Herein, we demonstrate the design of lateral heterostructures based on new building materials, namely 1S-MX2 LHS, using first-principles calculations. 1S-MX2 LHS exhibits excellent stability, demonstrating high feasibility in the experiment. The desired bandgap opening can endure application at room temperature and was confirmed in 1S-MX2 LHS with spin-orbit coupling (SOC). A strain strategy further resulted in efficient bandgap engineering and an intriguing phase transition. We also found that black phosphorus can serve as a competent substrate to support 1S-MX2 LHS with a coveted type-Ⅱ band alignment, allowing versatile functionalized bidirectional heterostructures with built-in device functions. Furthermore, the robust electronic features could be maintained in the 1S-MX2 LHS with larger components. Our findings will not only renew interest in LHS studies by enriching their categories and properties, but also highlight the promise of these lateral heterostructures as appealing materials for future integrated devices.


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About this article

Two-dimensional square transition metal dichalcogenides with lateral heterostructures

Show Author's information Qilong Sun1, Ying Dai1( ), Na Yin1, Lin Yu1, Yandong Ma1, Wei Wei1, Baibiao Huang2
School of Physics Shandong University Jinan 250100 China
State Key Laboratory of Crystal Materials Shandong University Jinan 250100 China

Abstract

Fabrication of lateral heterostructures (LHS) is promising for a wide range of next-generation devices and could sufficiently unlock the potential of two-dimensional materials. Herein, we demonstrate the design of lateral heterostructures based on new building materials, namely 1S-MX2 LHS, using first-principles calculations. 1S-MX2 LHS exhibits excellent stability, demonstrating high feasibility in the experiment. The desired bandgap opening can endure application at room temperature and was confirmed in 1S-MX2 LHS with spin-orbit coupling (SOC). A strain strategy further resulted in efficient bandgap engineering and an intriguing phase transition. We also found that black phosphorus can serve as a competent substrate to support 1S-MX2 LHS with a coveted type-Ⅱ band alignment, allowing versatile functionalized bidirectional heterostructures with built-in device functions. Furthermore, the robust electronic features could be maintained in the 1S-MX2 LHS with larger components. Our findings will not only renew interest in LHS studies by enriching their categories and properties, but also highlight the promise of these lateral heterostructures as appealing materials for future integrated devices.

Keywords: density functional theory, black phosphorus, two-dimensional, transition metal dichalcogenide, lateral heterostructure

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Publication history
Copyright
Acknowledgements

Publication history

Received: 17 January 2017
Revised: 10 March 2017
Accepted: 28 March 2017
Published: 27 June 2017
Issue date: November 2017

Copyright

© Tsinghua University Press and Springer-Verlag Berlin Heidelberg 2017

Acknowledgements

Acknowledgements

This work is supported by the National Basic Research Program of China (973 program, No. 2013CB632401), the National Natural Science foundation of China (Nos. 11374190 and 21333006), and the Taishan Scholar Program of Shandong Province, and 111 project B13029. L. Y. thanks the Natural Science Foundation of Shandong Province (No. ZR2013AM021).

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