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The electrical and transport properties of decorated ZrSe2 monolayer nano-sheet with copper clusters

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Abstract

Decorating two-dimensional materials can enhance their electrical and transport properties. Herein, the effect of the copper cluster on the electrical and the transport properties of the monolayer zirconium diselenide (ZrSe2) nano-sheet is investigated using density functional theory joined with non-equilibrium green function. The results show that the copper cluster can turn the ZrSe2 monolayer into an n-type semiconductor with a reduction of band gap from 0.59 eV in the pristine one to 0.15 eV. Based on the size of the cluster, the current–voltage characteristic altered drastically. It shows that decorated ZrSe2 exhibits negative differential resistance in its current–voltage characteristic and the lack of continuity in the density of states inside the channel is the main reason for such an effect.

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Authors and Affiliations

  1. Department of Electrical Engineering, Shiraz Branch, Islamic Azad University, Shiraz, Iran

    Soroush Karimi Khorrami & Mojtaba Sadeghi

  2. Department of Electronic and Computer Engineering, Graduate University of Advanced Technology, Kerman, Iran

    M. Berahman

Authors
  1. Soroush Karimi Khorrami
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  2. M. Berahman
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  3. Mojtaba Sadeghi
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Contributions

SKK: Conceptualization, Software, Writing—review and editing, Writing—original draft. MB: Visualization, Supervision, Software—review and editing, Validation, Project administration, Methodology. MS: Software, Investigation, Resources, review and editing.

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Correspondence to M. Berahman.

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Karimi Khorrami, S., Berahman, M. & Sadeghi, M. The electrical and transport properties of decorated ZrSe2 monolayer nano-sheet with copper clusters. Appl. Phys. A 128, 586 (2022). https://doi.org/10.1007/s00339-022-05722-7

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