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

doi:10.13438/j.cnki.jdzk.2021.04.007

Abstract

Abstract: Using the first-principles calculation method combining density functional theory and non-equilibrium Green's function, the electron transport properties of the armchair edge and the zigzag P-BC2P van der Waals heterojunction under finite bias are studied, 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-BC2P van der Waals heterojunctions both exhibit nonlinear changes and negative differential resistance effects. The current growth of the P-BC2P heterojunction at the edge of the armchair is faster than that of the phosphorene nanoribbons, but the current growth of the P-BC2P 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-BC2P heterojunction. Compared with the undoped, the conductance of the P-BC2P 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-BC2P heterojunction increases up to 196% when doped with P-type holes, and increases up to 164% when doped with N-type electrons.

Key words: P-BC2P heterojunction, electron transport properties, first principles, electrons doping, holesdoping

WU Dan, LIAO Wenhu, LIN Lie, LUO Shuzhen, CHENG Xiaoli. Doping Manipulationon the Electron Transport Properties of the Phosphorene-Boron Carbon Diphosphorus Heterojunction[J]. Journal of Jishou University(Natural Sciences Edition), 2021, 42(4): 31-37.

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