Performance analysis of doped zigzag graphene nanoribbon-based device for practical electronic applications using first principle approach

IF 3.1 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Computational Materials Science Pub Date : 2024-11-09 DOI:10.1016/j.commatsci.2024.113464
Hammadur Rub Ansari , M. Nizamuddin , Samrah Manzoor , Prabhash Mishra
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Abstract

The ongoing reduction in the size of electronic devices, interconnect delays have emerged as an important constraint in the overall performance of chips. The time it takes for signals to travel over the interconnecting wires is the cause of these delays, which today frequently exceed the intrinsic delays that are present within the integrated circuits (ICs) themselves. The rate at which current chips operate and their overall efficiency are both significantly influenced by this trend. This research investigates the electrical and electronic properties of a device constructed from doped graphene nanoribbons. The device is analyzed under conditions of minimal applied bias or electric field. It features a channel consisting of a minimal unit cell from a zigzag nanoribbon, situated between two zigzag graphene nanoribbons (ZGNR) which function as the electrodes on the left and right sides. The doping process improves the thermodynamic and structural stability of the device, achieving notably low values for total energy, formation energy, and binding energy. By incorporating nitrogen and boron atoms into specific interstitial sites within the ZGNR, the study aims to enhance understanding of the electronic transport mechanisms involving these dopant atoms and the lattice of the ZGNR. This research explores key semiconductor characteristics of the doped ZGNR-based device, such as negative differential resistance (NDR), peak-to-valley ratio (PVR), and rectification ratio (RR), which are crucial for various electronic applications, including switches, logic circuits, memory storage, amplifiers, and negative resistance oscillators. The device demonstrates a peak-to-valley ratio (PVR) of 92 and a rectification ratio (RR) of 149. Additionally, the device exhibits high dielectric energy storage capacity, with a maximum static dielectric constant of 14.7 and substantial low-energy absorption when nitrogen atoms are incorporated into the electrode region. This suggests potential applications in nanoelectronics and as a dielectric energy storage device operating at low applied bias voltages.

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利用第一原理方法分析基于掺杂之字形石墨烯纳米带的实用电子应用器件的性能
随着电子设备尺寸的不断缩小,互连延迟已成为芯片整体性能的一个重要制约因素。信号通过互连线所需的时间是造成这些延迟的原因,如今,这些延迟经常超过集成电路(IC)本身的固有延迟。当前芯片的运行速度和整体效率都受到这一趋势的严重影响。本研究调查了由掺杂石墨烯纳米带构建的器件的电气和电子特性。该器件是在最小外加偏压或电场条件下进行分析的。它的特点是通道由一个人字形纳米带的最小单元组成,位于两条人字形石墨烯纳米带(ZGNR)之间,这两条人字形石墨烯纳米带分别充当左右两侧的电极。掺杂过程提高了器件的热力学和结构稳定性,使总能、形成能和结合能的值明显降低。通过将氮原子和硼原子掺入 ZGNR 的特定间隙位点,该研究旨在加深对涉及这些掺杂原子和 ZGNR 晶格的电子传输机制的理解。这项研究探索了基于掺杂 ZGNR 器件的关键半导体特性,如负差分电阻 (NDR)、峰谷比 (PVR) 和整流比 (RR),这些特性对开关、逻辑电路、内存存储、放大器和负阻振荡器等各种电子应用至关重要。该器件的峰谷比 (PVR) 为 92,整流比 (RR) 为 149。此外,该器件还具有很高的电介质储能能力,最大静态介电常数为 14.7,并且在电极区域加入氮原子后,还具有很强的低能量吸收能力。这表明该器件具有应用于纳米电子学和在低外加偏置电压下工作的电介质储能器件的潜力。
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来源期刊
Computational Materials Science
Computational Materials Science 工程技术-材料科学:综合
CiteScore
6.50
自引率
6.10%
发文量
665
审稿时长
26 days
期刊介绍: The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.
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