二维半导体C_2N材料与金属接触的第一性原理研究
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- 英文论文题名：Study two-dimension semiconductor C_2N-metal contact from first principles calculations
- 论文作者：陈昭 ; 杨金龙
- 英文论文作者：Zhao Chen ; Jinlong Yang ; Department of Chemistry and Materials Science ; University of Science and Technology of China ; Synergetic Innovation Center of Quantum Information and Quantum Physics ; University of Science and Technology of China
- 年：2016
- 作者机构：中国科学技术大学化学与材料科学学院;量子信息与量子科技前沿协同创新中心;
- 论文关键词：第一性原理计算 ; 金属-半导体接触 ; 二维碳氮材料
- 会议召开时间：2016-07-01
- 会议录名称：中国化学会第30届学术年会摘要集-第四十分会：纳米体系理论与模拟
- 语种：中文
- 分类号：TN304;O641.1
- 学会代码：ZGHY
- 会议名称：中国化学会第30届学术年会-第四十分会 ; 纳米体系理论与模拟
- 会议地点：中国辽宁大连
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：1
- 文件大小：110k
- 原文格式：D
- 会议级别：全国
摘要
最近新合成出来的二维平面材料C_2N由于拥有合适的光学带隙(~1.96e V)和较高的载流子迁移率,可应用于电子和光电子设备中。目前已成功制备出基于C_2N晶体的场效应晶体管,并表现出了一些优越的性能如高的开关比107[1]。在基于碳氮材料制备的各种电路器件中半导体与金属接触的载流子注入效率对器件的整体性能起到了至关重要的作用,但是关于二维C_2N半导体-金属接触的实验和理论研究却是极少的。因此我们利用第一性原理计算系统的研究了6种不同的常见金属(Al,Ag,Au,Sc,Pt,Pd功函数跨度3.45-5.75e V)与单层C_2N接触的电子结构,来找到与C_2N形成欧姆接触或者肖特基势垒最低的金属材料。
Recently,a new type of flat layered two-dimensional material C_2N has been synthesized with an optical band gap of~1.96 e V and high carrier mobility.The layered C_2N materials will have tremendous opportunities to be applied in electronic and optoelectronic devices.Now field-effect transistors(FETs)were successfully fabricated using C_2N crystals with some superior performance like high on/off ratio of 107.The the carrier injection efficiency of semiconductor-metal contacts is vital to decide the property about the various devices based on carbon nitride materials.However,systematically experimental and theoretical study for the properties of two-dimension C_2N semiconductor-metal contact is absent.Here we explore the electronic structure of six different commonly used metals(Al,Ag,Au,Sc,Pt,Pd with the workfunctions spanning over 3.45-5.75 e V)in contact with monolayer C_2N from first principles calculations.I hope we can find the metal which can be employed to obtain Ohmic contact or have the lowest Schottky barrier.
Recently,a new type of flat layered two-dimensional material C_2N has been synthesized with an optical band gap of~1.96 e V and high carrier mobility.The layered C_2N materials will have tremendous opportunities to be applied in electronic and optoelectronic devices.Now field-effect transistors(FETs)were successfully fabricated using C_2N crystals with some superior performance like high on/off ratio of 107.The the carrier injection efficiency of semiconductor-metal contacts is vital to decide the property about the various devices based on carbon nitride materials.However,systematically experimental and theoretical study for the properties of two-dimension C_2N semiconductor-metal contact is absent.Here we explore the electronic structure of six different commonly used metals(Al,Ag,Au,Sc,Pt,Pd with the workfunctions spanning over 3.45-5.75 e V)in contact with monolayer C_2N from first principles calculations.I hope we can find the metal which can be employed to obtain Ohmic contact or have the lowest Schottky barrier.
引文
[1]Mahmood,J.;Lee,E.K.;Jung,M.;shin,D.Nat.Commun.,2015,6:6486.