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Ab initio study of electronic and transport anisotropy of two square and rectangle phosphorene nanoflakes

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Abstract

Two-dimensional (2D) phosphorene nanoflakes (PNFs) revealed different properties along two different crystal directions of zigzag (ZZ) and armchair (AM). In this study, the electronic and transport properties of two different structures of 4 × 4 square and 4 × 6 rectangle phosphorene nanoflakes with zigzag and armchair orientation were investigated. The zigzag 4 × 6 rectangle phosphorene nanoflake with six unit cells along zigzag direction was revealed to be metal whereas the corresponding armchair one with 6 unit cells along armchair direction was semiconductor. Transport study of nanoflakes showed the anisotropic behaviors at two transport directions of zigzag and armchair. Transmission coefficient of the phosphorene nanoflakes was found to be higher in the ZZ crystal direction compared to the AM and the anisotropy ratio of 6% and 95% was estimated for the square and rectangle PNF at Fermi energy, respectively.

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Author notes

  1. M. Yeganeh, F. Badieian Baghsiyahi and R. Pilevar Shahri contributed equally to this manuscript.

Authors and Affiliations

  1. School of Natural Science, Kosar University of Bojnord, Bojnord, Iran

    M. Yeganeh & F. Badieian Baghsiyahi

  2. Department of Physics, Payame Noor University (PNU), P.O. Box 19395-3697, Tehran, Iran

    R. Pilevar Shahri

Authors
  1. M. Yeganeh
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  2. F. Badieian Baghsiyahi
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Correspondence to M. Yeganeh.

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Yeganeh, M., Baghsiyahi, F.B. & Shahri, R.P. Ab initio study of electronic and transport anisotropy of two square and rectangle phosphorene nanoflakes. Appl. Phys. A 125, 545 (2019). https://doi.org/10.1007/s00339-019-2836-x

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