TlP 5 : an unexplored direct band gap 2D semiconductor with ultra-high carrier mobility

Two-dimensional materials with an appropriate band gap and high carrier mobility are urgently desired in the field of nanoelectronics. We propose a novel two-dimensional crystal monolayer TlP 5 , which is dynamically and thermodynamically stable and possesses a direct band gap of 2.02 eV with high c...

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Veröffentlicht in:Journal of materials chemistry. C, Materials for optical and electronic devices Materials for optical and electronic devices, 2019-01, Vol.7 (3), p.639-644
Hauptverfasser: Yuan, Jun-Hui, Cresti, Alessandro, Xue, Kan-Hao, Song, Ya-Qian, Su, Hai-Lei, Li, Li-Heng, Miao, Nai-Hua, Sun, Zhi-Mei, Wang, Jia-Fu, Miao, Xiang-Shui
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container_title Journal of materials chemistry. C, Materials for optical and electronic devices
container_volume 7
creator Yuan, Jun-Hui
Cresti, Alessandro
Xue, Kan-Hao
Song, Ya-Qian
Su, Hai-Lei
Li, Li-Heng
Miao, Nai-Hua
Sun, Zhi-Mei
Wang, Jia-Fu
Miao, Xiang-Shui
description Two-dimensional materials with an appropriate band gap and high carrier mobility are urgently desired in the field of nanoelectronics. We propose a novel two-dimensional crystal monolayer TlP 5 , which is dynamically and thermodynamically stable and possesses a direct band gap of 2.02 eV with high carrier mobilities (13 960 cm 2 V −1 s −1 for electrons and 7560 cm 2 V −1 s −1 for holes), comparable to that of phosphorene. The band gap value and band characteristics of monolayer TlP 5 can be adjusted by biaxial and uniaxial strains, and excellent optical absorption over the visible-light range is predicted. These properties, especially the balanced high mobilities for not only the electrons but also the holes, make monolayer TlP 5 an exciting functional material for future applications in nanoelectronics and optoelectronics.
doi_str_mv 10.1039/C8TC05164J
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title TlP 5 : an unexplored direct band gap 2D semiconductor with ultra-high carrier mobility
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