Comparative study on transport properties of N-, P-, and As-doped SiC nanowires: Calculated based on first principles

doi:10.1088/1674-1056/ab6c4c

中国物理B ›› 2020, Vol. 29 ›› Issue (3): 37304-037304.doi: 10.1088/1674-1056/ab6c4c

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇下一篇

Comparative study on transport properties of N-, P-, and As-doped SiC nanowires: Calculated based on first principles

Ya-Lin Li(李亚林), Pei Gong(龚裴), Xiao-Yong Fang(房晓勇)

Key Laboratory for Microstructural Material Physics of Hebei Province, School of Science, Yanshan University, Qinhuangdao 066004, China

收稿日期:2019-12-15 修回日期:2020-01-13 出版日期:2020-03-05 发布日期:2020-03-05
通讯作者: Xiao-Yong Fang E-mail:fang@ysu.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 11574261) and the Natural Science Foundation of Hebei Province, China (Grant No. A2015203261).

Comparative study on transport properties of N-, P-, and As-doped SiC nanowires: Calculated based on first principles

Ya-Lin Li(李亚林), Pei Gong(龚裴), Xiao-Yong Fang(房晓勇)

Key Laboratory for Microstructural Material Physics of Hebei Province, School of Science, Yanshan University, Qinhuangdao 066004, China

Received:2019-12-15 Revised:2020-01-13 Online:2020-03-05 Published:2020-03-05
Contact: Xiao-Yong Fang E-mail:fang@ysu.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 11574261) and the Natural Science Foundation of Hebei Province, China (Grant No. A2015203261).

摘要/Abstract

摘要： According to the one-dimensional quantum state distribution, carrier scattering, and fixed range hopping model, the structural stability and electron transport properties of N-, P-, and As-doped SiC nanowires (N-SiCNWs, P-SiCNWs, and As-SiCNWs) are simulated by using the first principles calculations. The results show that the lattice structure of N-SiCNWs is the most stable in the lattice structures of the above three kinds of doped SiCNWs. At room temperature, for unpassivated SiCNWs, the doping effect of P and As are better than that of N. After passivation, the conductivities of all doped SiCNWs increase by approximately two orders of magnitude. The N-SiCNW has the lowest conductivity. In addition, the N-, P-, As-doped SiCNWs before and after passivation have the same conductivity-temperature characteristics, that is, above room temperature, the conductivity values of the doped SiCNWs all increase with temperature increasing. These results contribute to the electronic application of nanodevices.

关键词: N-, P-, As-doped SiC nanowires, transport properties, first-principles theory

Abstract: According to the one-dimensional quantum state distribution, carrier scattering, and fixed range hopping model, the structural stability and electron transport properties of N-, P-, and As-doped SiC nanowires (N-SiCNWs, P-SiCNWs, and As-SiCNWs) are simulated by using the first principles calculations. The results show that the lattice structure of N-SiCNWs is the most stable in the lattice structures of the above three kinds of doped SiCNWs. At room temperature, for unpassivated SiCNWs, the doping effect of P and As are better than that of N. After passivation, the conductivities of all doped SiCNWs increase by approximately two orders of magnitude. The N-SiCNW has the lowest conductivity. In addition, the N-, P-, As-doped SiCNWs before and after passivation have the same conductivity-temperature characteristics, that is, above room temperature, the conductivity values of the doped SiCNWs all increase with temperature increasing. These results contribute to the electronic application of nanodevices.

Key words: N-, P-, As-doped SiC nanowires, transport properties, first-principles theory

中图分类号: (Electronic transport in nanoscale materials and structures)

73.63.-b

61.72.U- (Doping and impurity implantation) 63.20.dk (First-principles theory) 81.07.Gf (Nanowires)

李亚林, 龚裴, 房晓勇. Comparative study on transport properties of N-, P-, and As-doped SiC nanowires: Calculated based on first principles[J]. 中国物理B, 2020, 29(3): 37304-037304.

Ya-Lin Li(李亚林), Pei Gong(龚裴), Xiao-Yong Fang(房晓勇). Comparative study on transport properties of N-, P-, and As-doped SiC nanowires: Calculated based on first principles[J]. Chin. Phys. B, 2020, 29(3): 37304-037304.

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Comparative study on transport properties of N-, P-, and As-doped SiC nanowires: Calculated based on first principles

Comparative study on transport properties of N-, P-, and As-doped SiC nanowires: Calculated based on first principles

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