The electrical and thermal transport properties of hybrid zigzag graphene-BN nanoribbons

33rd International Conference on the Physics of Semiconductors

Gao, Song^1 ; Lu, Wei^1 ; Zheng, Guo-Hui^1 ; Jia, Yalei^1 ; Ke, San-Huang^1,2

MOE Key Labortoray of Microstructured Materials, School of Physics Science and Engineering, Tonji University, 1239 Siping Road, Shanghai

200092, China^1

Beijing Computational Science Research Center, 10 Dongbeiwang West Road, Beijing

100094, China^2

关键词: Carbon chains;    Electron and phonon transports;    Energy windows;    Non equilibrium green's function method;    Phonon transport;    Spin-polarized electron transport;    Thermal conductance;    Thermal transport properties;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/864/1/012049/pdf
DOI  :  10.1088/1742-6596/864/1/012049

来源: IOP

【 摘 要 】

The electron and phonon transport in hybrid graphene-BN zigzag nanoribbons are investigated by the nonequilibrium Green's function method combined with density functional theory calculations. A 100% spin-polarized electron transport in a large energy window around the Fermi level is found and this behavior is independent of the ribbon width as long as there contain 3 zigzag carbon chains. The phonon transport calculations show that the ratio of C-chain number to BN-chain number will modify the thermal conductance of the hybrid nanoribbon in a complicated manner.