Ab initio study of electronic and transport anisotropy of two square and rectangle phosphorene nanoflakes
Source abstract
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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Research context
OpenAlex topics: 2D Materials and Applications · MXene and MAX Phase Materials · Graphene research and applications
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