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 TlP5, which is dynamically and thermodynamically stable and possesses a direct band gap of 2.02 eV with high carrier mobilities (13960 cm2V−1s−1 for electrons and 7560 cm2V−1s−1 for holes), comparable to that of phosphorene. The band gap value and band characteristics of monolayer TlP5 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 TlP5 an exciting functional material for future nanoelectronics and optoelectronic applications.
@article{arxiv.1810.07489,
title = {$\mathrm{TlP_5}$: An unexplored direct band gap 2D semiconductor with ultra-high carrier mobility},
author = {Jun-Hui Yuan and Alessandro Cresti and Kan-Hao Xue and Ya-Qian Song and Hai-Lei Su and Li-Heng Li and Nai-Hua Miao and Zhi-Mei Sun and Jia-Fu Wang and Xiang-Shui Miao},
journal= {arXiv preprint arXiv:1810.07489},
year = {2024}
}