Investigating the electronic properties of pentagraphene and pentasilicene and its application in semiconductor devices

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing Pub Date : 2025-04-26 DOI:10.1016/j.mssp.2025.109599

Mehran Vali , Amirhossein Bayani

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Abstract

Pentasilicene and pentagraphene are two novel two-dimensional allotropes of silicon and carbon, respectively, characterized by a pentagonal lattice structure and semiconducting electronic properties. However, differences in their structures lead to distinct electronic characteristics. In this study, we simulated a field-effect nanotransistor using both materials and analyzed the resulting differences from a physical standpoint. Our simulations employed density functional theory (DFT) in conjunction with the non-equilibrium Green's function (NEGF) method. The results demonstrate that pentasilicene has significant potential for use as a field-effect transistor, while pentagraphene is not suitable for this application due to its relatively large energy band gap. We observed that the pentasilicene field-effect transistor exhibits stable switching behavior with a high on/off current ratio exceeding 10⁴ at room temperature. Additionally, the device's output characteristics reveal negative differential conductance with a favorable peak-to-valley ratio.

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研究了五石墨烯和五硅烯的电子性质及其在半导体器件中的应用

五硅烯和五石墨烯分别是硅和碳的两种新型二维同素异形体，具有五边形晶格结构和半导体电子特性。然而，它们结构的不同导致了不同的电子特性。在这项研究中，我们使用这两种材料模拟了场效应纳米晶体管，并从物理角度分析了结果的差异。我们的模拟采用密度泛函理论（DFT）结合非平衡格林函数（NEGF）方法。结果表明，五硅烯具有作为场效应晶体管的巨大潜力，而五石墨烯由于其相对较大的能带隙而不适合这种应用。我们观察到五硅烯场效应晶体管在室温下表现出稳定的开关行为，具有超过104的高开/关电流比。此外，该器件的输出特性显示负差分电导，具有良好的峰谷比。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Materials Science in Semiconductor Processing 工程技术-材料科学：综合

CiteScore

8.00

自引率

4.90%

发文量

780

审稿时长

42 days

期刊介绍： Materials Science in Semiconductor Processing provides a unique forum for the discussion of novel processing, applications and theoretical studies of functional materials and devices for (opto)electronics, sensors, detectors, biotechnology and green energy. Each issue will aim to provide a snapshot of current insights, new achievements, breakthroughs and future trends in such diverse fields as microelectronics, energy conversion and storage, communications, biotechnology, (photo)catalysis, nano- and thin-film technology, hybrid and composite materials, chemical processing, vapor-phase deposition, device fabrication, and modelling, which are the backbone of advanced semiconductor processing and applications. Coverage will include: advanced lithography for submicron devices; etching and related topics; ion implantation; damage evolution and related issues; plasma and thermal CVD; rapid thermal processing; advanced metallization and interconnect schemes; thin dielectric layers, oxidation; sol-gel processing; chemical bath and (electro)chemical deposition; compound semiconductor processing; new non-oxide materials and their applications; (macro)molecular and hybrid materials; molecular dynamics, ab-initio methods, Monte Carlo, etc.; new materials and processes for discrete and integrated circuits; magnetic materials and spintronics; heterostructures and quantum devices; engineering of the electrical and optical properties of semiconductors; crystal growth mechanisms; reliability, defect density, intrinsic impurities and defects.