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All-phosphorus flexible device with non-collinear electrodes: A first principles study

Abstract

With the continuous expanding of two-dimensional (2D) materials family, flexible electronics based on 2D materials are quickly emerged. Theoretically predicting the transport properties of the flexible devices made of 2D materials from first principles is of great importance. Using the density functional theory combined with the non-equilibrium Green's function formalism, we calculated the transport properties of all-phosphorus flexible devices with non-collinear electrodes, and results predicted that the device with compressed metallic phosphorene electrodes sandwiching a P-type semiconducting phosphorene show a better and robust conducting behavior against the bending of the semiconducting region when the angle between the two electrodes is smaller than 45°, which indicates that this system is very promising for flexible electronics. The calculation of a quantum transport system with non-collinear electrodes demonstrated in this work will provide more interesting information for the mesoscopic material systems and related devices.

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Publication details

The article was received on 18 Dec 2017, accepted on 05 Feb 2018 and first published on 05 Feb 2018


Article type: Paper
DOI: 10.1039/C7CP08462E
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    All-phosphorus flexible device with non-collinear electrodes: A first principles study

    J. Li, L. Ruan, Z. Wu, G. Zhang and Y. Wang, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C7CP08462E

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