磷烯-硼碳二磷异质结电子输运性质的掺杂调控  

Doping Manipulationon of the Electron Transport Properties of the Phosphorene-Boron Carbon Diphosphorus Heterojunction

作　　者：吴丹 廖文虎[1] 林丽娥 罗淑珍 程小丽 WU Dan;LIAO Wenhu;LIN Li'e;LUO Shuzhen;CHENG Xiaoli(School of Physics and Electromechanical Engineering, Jishou University, Jishou 416000, Hunan China)

机构地区：[1]吉首大学物理与机电工程学院,湖南吉首416000

出　　处：《吉首大学学报（自然科学版）》2021年第4期31-37,共7页Journal of Jishou University(Natural Sciences Edition)

基　　金：国家自然科学基金资助项目(11664010,11264013);湖南省自然科学基金资助项目(2017JJ2217,12JJ4003);湖南省教育厅重点项目(18A293);吉首大学研究生科研项目(JDY19039,JDY20031)。

摘　　要：利用密度泛函理论与非平衡格林函数相结合的第一性原理计算方法,研究了有限偏压下扶手椅边缘和锯齿边缘磷烯-硼碳二磷(P-BC_(2)P)范德瓦尔斯异质结的电子输运性质,以及N型电子/P型空穴掺杂对2种边缘形貌异质结电子输运性质的影响.研究结果表明:(1)有限偏压下,2种边缘形貌P-BC_(2)P范德瓦尔斯异质结均呈现非线性变化和负微分电阻效应.扶手椅边缘P-BC_(2)P异质结的电流增长快于扶手椅边缘磷烯纳米带,锯齿边缘P-BC_(2)P异质结的电流增长慢于锯齿边缘磷烯纳米带.(2)掺杂浓度0.001~0.01 e/atom范围内,N型电子/P型空穴掺杂能有效调控P-BC_(2)P异质结的电导.相比未掺杂,扶手椅边缘P-BC_(2)P异质结的电导在P型空穴掺杂时最多增加和最多减少均为20%,在N型电子掺杂时最多减少46.7%;锯齿边缘P-BC_(2)P异质结的电导在P型空穴掺杂时最多增加196%,在N型电子掺杂时最多增加164%.Using the first-principles calculation method combining density functional theory and non-equilibrium Green's function,we have studied transport properties of the armchair edge and the zigzag P-BC_(2)P van der Waals heterojunction under finite bias,and the influence of N-type electrons and P-type holes doping on the electron transport properties of the two edge types of heterojunctions.The research results show that:(1)Under the finite bias voltage,the two edge types P-BC_(2)P van der Waals heterojunctions both exhibit nonlinear changes and negative differential resistance effects.The current growth of the P-BC_(2)P heterojunction at the edge of the armchair is faster than that of the phosphorene nanoribbons,but the current growth of the P-BC_(2)P heterojunction at the zigzag edge is slower than that of the phosphorene nanoribbons.(2)In the doping concentration range of 0.001~0.01 e/atom,N-type electrons/P-type holes doping can effectively control the conductance of P-BC_(2)P heterojunction.Compared with the undoped,the conductance of the P-BC_(2)P heterojunction at the edge of the armchair increases and decreases by up to 20%when doped with P-type holes,and decreases by up to 46.7%when doped with N-type electrons.The conductance of the zigzag edge P-BC_(2)P heterojunction increases up to 196%when doped with P-type holes,and increases up to 164%when doped with N-type electrons.

关 键 词：磷烯-硼碳二磷异质结 电子输运性质 第一性原理 电子掺杂 空穴掺杂 

分 类 号：O474[理学—半导体物理]