Phonon-limited mobility and quantum transport in fluorinated diamane MOSFETs from the first-principles calculations

声子 材料科学 MOSFET 晶体管 纳米器件 凝聚态物理 机动性模型 声子散射 电子迁移率 半导体 玻尔兹曼方程 纳米技术 物理 光电子学 量子力学 计算机科学 电压 电信
作者
Linpeng Dong,Penghui Li,Chong Li,Iman S. Roqan,Bo Peng,Bin Xin,Weiguo Liu
出处
期刊:Carbon [Elsevier BV]
卷期号:204: 295-304 被引量:2
标识
DOI:10.1016/j.carbon.2022.12.064
摘要

Two-dimensional diamane with outstanding properties is promising for advanced nanodevice applications, whereas a comprehensive understanding of phonon-limited mobility as well as the prediction of device performance limit is still lacking. Here we report on phonon-limited mobility simulation in fluorinated diamane monolayer using first-principles calculations, with consideration of both elastic and inelastic phonon scattering processes based on Boltzmann transport equation. We construct sub-7 nm fluorinated diamane metal-oxide-semiconductor field-effect transistors (MOSFET) to investigate their quantum transport properties by first-principles calculations based on density functional theory coupling with the non-equilibrium Green's function formalism. Our findings show that fluorinated diamane mobility is concentration-dependent, with the electron and hole mobility reaching as high as 4390 and 10100 cm2V−1s−1, respectively, at the 1014 cm−2 carrier concentration. Our simulations reveal that the key figures of merits (FOMs) of fluorinated diamane MOSFETs are benchmarked against the International Technology Roadmap for Semiconductors (ITRS) standards for high-performance (HP) and low-power (LP) applications, showing superior potential compared to the most reported 2D materials. The simulated results demonstrate that the on-current, delay time, and power-delay product meet the ITRS requirements for HP and LP applications, including devices constructed with nano-scale channel length (≥3 and 5 nm) respectively. Finally, we show that the performance of a 32-bit ALU based on fluorinated diamane MOSFETs is comparable with emerging beyond-CMOS devices. Thus, our results shed light on the electronic properties of fluorinated diamane, making it superior to serve as a channel material in the post-silicon era.
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