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Issue 11, 2018
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Novel electronic properties of two-dimensional AsxSby alloys studied using DFT

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Abstract

The predictions of a new series of two-dimensional (2D) materials, namely, arsenene and antimonene have enriched the field of nano-electronic devices-fabrication. However, the indirect band gap character of the pristine structures slows down the pace of their practical applications. Herein, we prepared and studied novel monolayer AsxSby alloys with excellent stabilities (where x and y denote the atomic ratio of As and Sb elements and x + y = 16). The results indicate that some of the components possess direct band gaps. Moreover, the low effective masses (lower than 0.2m0, where m0 is the static electron mass) of the alloys, which enhanced the device efficiency, were also identified. In particular, α-phase AsxSby (5 ≤ y ≤ 9) harbors effective masses even lower than phosphorene. Our predictions not only inject new vigor into 2D alloys, enriching the candidate materials available in this field, but also highlight the potential of these alloys as fascinating materials for future non-electronic devices.

Graphical abstract: Novel electronic properties of two-dimensional AsxSby alloys studied using DFT

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Publication details

The article was received on 06 Jan 2018, accepted on 20 Feb 2018 and first published on 21 Feb 2018


Article type: Paper
DOI: 10.1039/C8TC00079D
Citation: J. Mater. Chem. C, 2018,6, 2854-2861
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    Novel electronic properties of two-dimensional AsxSby alloys studied using DFT

    N. Zhao, Y. F. Zhu and Q. Jiang, J. Mater. Chem. C, 2018, 6, 2854
    DOI: 10.1039/C8TC00079D

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