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Updated: Jan 5, 2026
Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Electronic structure and transport properties of 2D RhTeCl: a NEGF-DFT study
Hengze Qu1, Shiying Guo1, Wenhan Zhou1
1Key Laboratory of Advanced Display Materials and Devices, Ministry of Industry and Information Technology, College of Material Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094, China. zhangslvip@njust.edu.cn zeng.haibo@njust.edu.cn.
Abstract:
2D materials are considered as excellent candidates for next-generation electronic and optoelectronic devices. However, the corresponding systems with both an appropriate direct band gap and high carrier mobility are urgently required. Here, a new 2D semiconductor, monolayer RhTeCl, is investigated based on first-principles calculations. Monolayer RhTeCl possesses a direct band gap of 2.16 eV, with a high electron mobility up to 1.5 × 104 cm2 V-1 s-1. Thus, monolayer RhTeCl double-gated metal-oxide-semiconductor field-effect transistors (MOSFETs) with a 6 nm gate length are simulated by quantum transport methods. The 6 nm monolayer RhTeCl n-MOSFET displays a steep sub-kT/q switching characteristic and a high on/off ratio (106), which demonstrates a superior gate control. Therefore, these promising semiconductor characteristics and device performances of 2D RhTeCl provide new opportunities for novel low power ultra-scaled devices.
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