Jie Cheng , Chao Zhang , Jia-Yu Bao , Wen-Bo Yuan , Yong-Sheng Xie , Zhi Long , Wen-Hao Song , Guo-Ping Lei , Chun-Ming Yang , Yong Wei , Shi-Fa Wang , Lei Hu
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引用次数: 0
摘要
随着场效应晶体管(FET)等电子设备越来越微型化,迫切需要探索具有适当带隙、高载流子迁移率和长载流子寿命的二维(2D)材料。本文利用第一原理计算对单层(SL)InGeS 进行了深入研究。理论结果证实,单层 InGeS 在 300 K 时具有良好的热稳定性和动态稳定性。根据 HSE06,单层 InGeS 的直接带隙为 1.28 eV,其电子和空穴固有地位于不同的原子区域。在可见光范围内,SL InGeS 的最大光吸收为 5 × 10 厘米,超过了大多数已知的二维材料。此外,SL InGeS 还具有较高的电子迁移率(∼11100 cm V s)和相对较低的空穴迁移率(∼1000 cm V s),其载流子寿命长达 4.99 ns。此外,石墨烯/InGeS 异质结中还设计了欧姆接触,这意味着电流电阻很小。简而言之,所有这些科学发现都表明 SL InGeS 有希望成为超薄 FET 器件的候选器件。
Single-Layer InGeS: Robust direct Bandgap, super high electron Mobility, long-lived Carriers, and Ohmic contact for Next-Generation 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.
期刊介绍:
Chemical Physics publishes experimental and theoretical papers on all aspects of chemical physics. In this journal, experiments are related to theory, and in turn theoretical papers are related to present or future experiments. Subjects covered include: spectroscopy and molecular structure, interacting systems, relaxation phenomena, biological systems, materials, fundamental problems in molecular reactivity, molecular quantum theory and statistical mechanics. Computational chemistry studies of routine character are not appropriate for this journal.