Single-Layer InGeS: Robust direct Bandgap, super high electron Mobility, long-lived Carriers, and Ohmic contact for Next-Generation Field-Effect transistors

• Published in: Chemical physics Vol. 586; p. 112409
• Main Authors: Cheng, Jie, Zhang, Chao, Bao, Jia-Yu, Yuan, Wen-Bo, Xie, Yong-Sheng, Long, Zhi, Song, Wen-Hao, Lei, Guo-Ping, Yang, Chun-Ming, Wei, Yong, Wang, Shi-Fa, Hu, Lei
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.10.2024
• Subjects: 2D Materials; Carrier Mobility; Field-effect Transistor; First-Principles; InGeS; First-Principles; Field-effect Transistor; Carrier Mobility; 2D Materials; InGeS
• ISSN: 0301-0104
• DOI: 10.1016/j.chemphys.2024.112409

•Single-layer InGeS possesses a robust direct moderate bandgap, which is quite favorable for the field effect transistor application.•The electronic structure demonstrates the high separation efficiency of charge carriers in single-layer InGeS.•The predicted electron carrier mobility (∼11100 cm2•V−1•s−1) of single-layer InGeS is even comparable with that of the well-known two-dimensional black phosphorus.•A quite long carrier lifetime (4.99 ns) and a maximum visible absorption (∼5 × 105 cm−1) in single-layer InGeS are predicted, both surpassing that of most existing 2D semiconductors.•An Ohmic contact is designed in the graphene/InGeS heterojunction, implying small current resistance in SL InGeS based field effect transistors. Two-dimensional (2D) materials holding appropriate bandgaps, high carrier mobility, and long carrier lifetime require to be urgently explored as electronic devices such as field effect transistors (FETs) become more and more miniaturized. Herein, single-layer (SL) InGeS is thoroughly investigated using first-principles calculations. Theoretical results confirm SL InGeS has nice thermal and dynamical stability at 300 K. SL InGeS holds a direct bandgap of 1.28 eV by HSE06, and its electrons and holes are inherently located at different atomic regions. In the visible range, SL InGeS displays a maximum optical absorption of ∼ 5 × 105 cm−1, surpassing that of most known 2D materials. Furthermore, SL InGeS possesses high electron mobility (∼11100 cm2 V−1 s−1) and relatively low hole mobility (∼1000 cm2 V−1 s−1), and its carrier lifetime is as long as 4.99 ns. In addition, an Ohmic contact is designed in the graphene/InGeS heterojunction, implying small current resistance. In brief, all these scientific findings promise SL InGeS is a hopeful candidate in ultrathin FET devices.