石墨炔/石墨烯异质结纳米共振隧穿晶体管第一原理研究  

First-principles study of graphyne/graphene heterostructure resonant tunneling nano-transistors

作　　者：王天会 李昂 韩柏[2] Wang Tian-Hui;Li Ang;Han Bai(School of Disciplinary Basics and Applied Statistics, Zhuhai College of Jilin University, Zhuhai 519041, China;Key Laboratory of Engineering Dielectrics and Its Application, Ministry of Education, Heilongjiang Provincial Key Laboratory of Dielectric Engineering, School of Electrical and Electronic Engineering,Harbin University of Science and Technology, Harbin 150080, China)

机构地区：[1]吉林大学珠海学院公共基础与应用统计学院,珠海519041 [2]哈尔滨理工大学电气与电子工程学院,工程电介质及其应用教育部重点实验室,黑龙江省电介质工程重点实验室,哈尔滨150080

出　　处：《物理学报》2019年第18期238-244,共7页Acta Physica Sinica

基　　金：国家自然科学基金(批准号:51607048);黑龙江省普通本科高等学校青年创新人才培养计划(批准号:UNPYSCT-2016049)资助的课题~~

摘　　要：石墨烯和石墨炔的化学相容性表明它们能够以不同形式组合在一起,从而构建新型超高频纳米晶体管.通过石墨烯-石墨炔-石墨烯异质结纳米带构建双极器件模拟了两种新型纳米共振隧穿晶体管,根据基于密度泛函理论的第一原理和非平衡格林函数方法对该晶体管的电子结构和量子输运特性进行了理论计算.电子透射谱和电流-电压曲线的计算结果证明该晶体管的电流主要来源于共振隧穿跃迁并可由横向栅极电压控制,因此可用作超高频纳米晶体管.Resonant tunneling transistors have received wide attention because of their ability to reduce the complexity of circuits, and promise to be an efficient candidate in ultra-high speed and ultra-high frequency applications. The chemical compatibility between graphene and graphdiyne implies that they can be combined into various configurations to fulfill ultra-high frequency nanotransistor. In the present paper, two novel resonant tunneling transistors based on graphene/graphdiyne/graphene double-heterojunction are theoretically developed to model two new kinds of bipolar devices with two representative graphdiyne nanoribbons. The electronic structures of two pristine graphdiyne nanoribbons are investigated by performing the first-principles calculations with all-electron relativistic numerical-orbit scheme as implemented in Dmol3 code. The electronic transport properties including quantum conductance (transmission spectrum) and electrical current varying with bias-voltage for each of the designed graphdiyne nanoribbon transistors are calculated in combination with non-equilibrium Green function formalism. The calculated electronic transmission and current-voltage characteristics of these transistors demonstrate that the current is dominantly determined by resonant tunneling transition and can be effectively controlled by gate electric field thereby representing the favorable negativedifferential- conductivity, which is the qualified attribute of ultra-high frequency nanotransistor. It follows from the I-Ub variations explained by electronic transmission spectra that quantum resonance tunneling can occur in the proposed star-like graphdiyne (SGDY) and net-like graphdiyne (NGDY) nanoribbon transistors, with the resonance condition limited to a narrow bias-voltage range, leading to a characteristic resonant peak in I-Ub curve, which means the strong negative differential conductivity. Under a gate voltage of 4 V, when the biasvoltage rises up to 0.6 V (0.7 V), the Fermi level of source electrode aligns identically to

关 键 词：石墨烯 石墨炔 纳米带异质结构 共振隧穿晶体管 

分 类 号：TN32[电子电信—物理电子学] TB383.1[一般工业技术—材料科学与工程]