三角形h−BNC/石墨烯复合异质结的整流特性  

Rectification Characteristics of Triangular h-BNC/Graphene Composite Heterojunction

作　　者：王丽华[1] 丁秉钧[2] WANG Li−hua;DING Bing−jun(School of Physics and Electronic Science,Shanxi Datong University,Datong Shanxi,037009;School of Science,Xi'an Jiaotong University,Xi'an Shaanxi,710049)

机构地区：[1]山西大同大学物理与电子科学学院,山西大同037009 [2]西安交通大学理学院,陕西西安710049

出　　处：《山西大同大学学报（自然科学版）》2022年第1期5-8,共4页Journal of Shanxi Datong University(Natural Science Edition)

基　　金：山西省自然科学基金[201701D121002];大同市重点研发计划项目[2018021]。

摘　　要：将三角形六边硼氮碳(h−BNC)和三角形石墨烯(TG)夹在两个扶手椅型石墨烯纳米带电极之间,构建了三明治异质结。第一性原理计算表明,当顶点原子由氮和碳(硼和碳)连接时,出现了正向(反向)整流特性。对于特定的连接方式,h−BNC中元素比例p越大,正向(反向)整流比越大。提出的整流机制为控制基于TG的纳米器件整流特性提供了理论参考。We Sandwiched triangular hexagon boron-nitride-carbon(h−BNC)and triangular graphene(TG)between two armchair graphene nanoribbon electrodes to construct particular heterojunctions.The first principle calculation shows that when the vertex atom is connected by nitrogen and carbon(boron and carbon),the forward(reverse)rectification characteristic appears.For a specific connection mode,the greater the element ratio p in h−BNC,the greater the forward(reverse)rectification ratio.The proposed rectification mechanism provides a theoretical reference for controlling the rectification characteristics of nano devices based on TG.

关 键 词：密度泛函理论 非平衡格林函数 整流 h−BNC 石墨烯 

分 类 号：O469[理学—凝聚态物理]