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Controlling the electronic properties of Gd: MoS2 monolayer with perpendicular electric field

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Abstract

A systematic computational study to demonstrate electric field dependence of electronic properties of Gd doped MoS2monolayer is being reported. Density functional theory (DFT) based calculated were performed using ADF-BAND package to investigate the effects of applied electric field on pure and Gd doped monolayer of MoS2using supercell approach. A detailed analysis of electric field dependence of host and dopant related states in the monolayers was carried out and discussed to explore the possible implications in devices. The findings on the basis of calculated results indicate that band gap of the monolayer decrease with increase in value of applied electric field. A model indicating this behaviour is also reported. It was further revealed that the formation energy of the monolayers exhibits a consistent decrease with increase in electric field.

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Acknowledgments

Abdul Majid, international research fellow of Japan Society for the promotion of science (JSPS), acknowledges financial support from JSPS. U. A. Rana would like to extend his sincere appreciation to the Deanship of Scientific Research at the King Saud University for its funding of this research through the Prolific Research Group, Project No. PRG-1436-18.

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Authors and Affiliations

  1. Department of Physics, University of Gujrat, Gujrat, Pakistan

    Abdul Majid, Arslan Ullah & Tahir Iqbal

  2. Sustainable Energy Technologies Center, College of Engineering, King Saud University, PO-Box 800, Riyadh, 11421, Saudi Arabia

    Usman Ali Rana & Salah Ud-Din Khan

  3. Department of Adaptive Machine Systems, Osaka University, Osaka, Japan

    Masato Yoshiya

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  1. Abdul Majid
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  2. Arslan Ullah
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  4. Usman Ali Rana
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  5. Salah Ud-Din Khan
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  6. Masato Yoshiya
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Correspondence to Abdul Majid or Usman Ali Rana.

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Majid, A., Ullah, A., Iqbal, T. et al. Controlling the electronic properties of Gd: MoS2 monolayer with perpendicular electric field. J Electroceram 37, 29–33 (2016). https://doi.org/10.1007/s10832-016-0035-0

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  • DOI: https://doi.org/10.1007/s10832-016-0035-0

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