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Intriguing Electronic Insensitivity and High Carrier Mobility in Monolayer Hexagonal YN

Abstract

Owing to extraordinary properties and multifunctional applications, prodigious efforts have been made in the exploration of novel two-dimensional (2D) materials. In current work, a 2D hexagonal YN (h-YN) is predicted based on theoretical calculations. By assessing the phonon spectrum, ab initio molecule dynamics and elastic constants, the h-YN monolayer is proved to own satisfying thermal, dynamic and mechanical stability. Distinguishing from the most reported 2D transition metal mononitrides which exhibit metallic, monolayer h-YN is a semiconductor with an indirect bandgap of 2.322 eV. In particular, h-YN presents unusually insensitive responses of electronic structures to tensile or compressive strain due to the valence orbital hybridization. Carrier mobility calculations suggest that monolayer h-YN possesses high electron mobility of up to 104 cm2 V–1s–1and hole mobility of up to 103 cm2V–1s–1 in zigzag and armchair orientations. Moreover, few-layer h-YN displays evident semiconductor performances and dispersive conductive bands, indicating light electron effective masses and excellent electron transport capabilities. Such pronounced carrier mobility, insensitive electronic responses to strain together with light electron effective masses of few-layer structures endow h-YN a promising candidate in future nanoscale electronic devices in high-strain conditions.

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Publication details

The article was received on 01 Feb 2018, accepted on 29 Mar 2018 and first published on 30 Mar 2018


Article type: Paper
DOI: 10.1039/C8TC00558C
Citation: J. Mater. Chem. C, 2018, Accepted Manuscript
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    Intriguing Electronic Insensitivity and High Carrier Mobility in Monolayer Hexagonal YN

    K. Zheng, X. Yang, H. Cui, Q. Yang, H. Ye, D. Xiong and S. Ingebrandt, J. Mater. Chem. C, 2018, Accepted Manuscript , DOI: 10.1039/C8TC00558C

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