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Funct. Mater. 2019; 26 (3): 597-602.

doi:https://doi.org/10.15407/fm26.03.597

Electron transport properties of nanomaterials based on recursive Green's function method

X.Mei1, Z.Wu2

1Jiangsu Vocational College of Agriculture and Forestry, 212400 Jurong, China
2Nanjing University, 210023 Nanjing, China

Abstract: 

By using the recursive Green's function method, the electronic structure and transport properties of nano-band are calculated. The results show that the conductivity curves are also sensitive to the dependence of volume vacancies. The conductivity channel exists in both zigzag graphene nanoribbons (ZGNR) and armchair graphene nanoribbon (AGNR) when the concentration of methylene is 0.005. LDOS analysis shows that there are (quasi) localized states at the corresponding energy. With the increase of w, the suppression of conductivity becomes more and more obvious, and there is a conductance channel at E = 0 eV. The results show that a relatively stable conductance channel can be obtained when w = 0.3. When the vacancies are evenly distributed on the two boundaries, the ZGNRs has a stable transport hook, and the size of the transport ditch N oscillates down. That is, if the overall structure of the ZGNRs is symmetric, the transportation ditch is larger, and the transmission is mainly determined by its band gap.

Keywords: 
recursive Green's function, nano-scale, transport properties.
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