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arXiv · 1810.07489

$\mathrm{TlP_5}$: An unexplored direct band gap 2D semiconductor with ultra-high carrier mobility

Jun-Hui Yuan·Alessandro Cresti·Kan-Hao Xue·Ya-Qian Song·Hai-Lei Su·Li-Heng Li·Nai-Hua Miao·Zhi-Mei Sun·Jia-Fu Wang·Xiang-Shui Miao
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Abstract

Two-dimensional materials with a proper band gap and high carrier mobility are urgently desired in the field of nanoelectronics. We propose a novel two-dimensional crystal monolayer $\mathrm{TlP_5}$, which is dynamically and thermodynamically stable and possesses a direct band gap of 2.02 eV with high carrier mobilities (13960 $\mathrm{cm^2\ V^{-1}s^{-1}}$ for electrons and 7560 $\mathrm{cm^2\ V^{-1}s^{-1}}$ for holes), comparable to that of phosphorene. The band gap value and band characteristics of monolayer $\mathrm{TlP_5}$ can be adjusted by biaxial and uniaxial strains, and excellent optical absorption over the visible-light range is predicted. These properties, especially for the balanced high mobilities for not only the electrons but also the holes, render monolayer $\mathrm{TlP_5}$ an exciting functional material for future nanoelectronics and optoelectronic applications.

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Jun-Hui Yuan, Alessandro Cresti, Kan-Hao Xue, Ya-Qian Song, Hai-Lei Su, Li-Heng Li, Nai-Hua Miao, Zhi-Mei Sun, Jia-Fu Wang, Xiang-Shui Miao. 2018-10-17. $\mathrm{TlP_5}$: An unexplored direct band gap 2D semiconductor with ultra-high carrier mobility. https://doi.org/10.1039/c8tc05164j

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