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Effect of Tensile Strain on Performance Parameters of Different Structures of MoS2 Monolayer

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Abstract

The present work is based on the computational study of MoS2 monolayer and effect of tensile strain on its atomic level structure. The bandgap for MoS2 monolayer, defected MoS2 monolayer and Silicon-doped monolayer are 1.82 eV (direct bandgap), 0.04 (indirect bandgap) and 1.25 eV (indirect bandgap), respectively. The impact of tensile strain (0-0.7 %) on the bandgap and effective mass of charge carriers of these MoS2 structures has been investigated. The bandgap decrease of 5.76 %, 31.86 % and 6.03 % has been observed in the three structures for biaxial strain while the impact of uniaxial strain is quite low. The impact of higher temperature on the bandgap under biaxial tensile strain has been also analyzed in this paper. These observations are extremely important for 2D material-based research for electronic applications.

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Data Availability

The datasets generated during and/or analysed during the current study are available from the corresponding author on reasonable request.

Code Availability

We have used VNL-ATK QuantumWise Software for implementation.

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Acknowledgements

The authors would like to thank the Department of Electronics and Communication Engineering, National Institute of Technology, Hamirpur, Himachal Pradesh, India for providing valuable support to carry out this study in VLSI & Nano Laboratory.

Funding

The authors are thankful to National Institute of Technology Hamirpur (HP) for supporting this research work. However, no funding was received with the preparation of this manuscript.

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Authors and Affiliations

  1. Department of Electronics and Communication Engineering, National Institute of Technology, Hamirpur, Himachal Pradesh, 177005, India

    Priya Kaushal & Gargi Khanna

  2. Department of Electronics and Communication Engineering, Dr B R Ambedkar National Institute of Technology, Jalandhar, Punjab, 144011, India

    Tarun Chaudhary

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  1. Priya Kaushal
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  2. Tarun Chaudhary
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All authors contributed to the study conception, simulation and analysis. All the authors have contributed in writing the manuscript and approved the final manuscript.

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Correspondence to Priya Kaushal.

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Kaushal, P., Chaudhary, T. & Khanna, G. Effect of Tensile Strain on Performance Parameters of Different Structures of MoS2 Monolayer. Silicon 14, 4935–4943 (2022). https://doi.org/10.1007/s12633-021-01256-4

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