TY - JOUR
T1 - Effects of hydroxyl groups and hydrogen passivation on the structure, electrical and optical properties of silicon carbide nanowires
AU - Jia, Ya Hui
AU - Gong, Pei
AU - Li, Shu Long
AU - Ma, Wan Duo
AU - Fang, Xiao Yong
AU - Yang, Ying Ying
AU - Cao, Mao Sheng
N1 - Publisher Copyright:
© 2019 Elsevier B.V.
PY - 2020/2/6
Y1 - 2020/2/6
N2 - The effects of hydrogen and hydroxyl passivation on the structure, electrical and optical properties of SiCNWs were investigated. The passivation performance of different atoms (groups) were discussed by analyzing the distribution of electronic states and the polarity of chemical bonds. The results show that passivation can improve the stability of SiCNWs structure, and the effect of hydroxyl is better than hydrogen passivation. And hydrogen and hydroxyl passivation both increase the band gap of SiCNWs, and the changing trend of band gap is relevant to the polarity of the covalent bond formed by the passivation of surface atoms. Moreover, passivation enhances the stability of the optical properties of SiCNWs, resulting in narrowing of light absorption, photoconductivity and other spectra, and the response peak shifts to the deep ultraviolet region, which means that hydrogen or hydroxyl passivation of SiCNWs is likely to be a candidate material for deep ultraviolet micro-nano optoelectronic devices.
AB - The effects of hydrogen and hydroxyl passivation on the structure, electrical and optical properties of SiCNWs were investigated. The passivation performance of different atoms (groups) were discussed by analyzing the distribution of electronic states and the polarity of chemical bonds. The results show that passivation can improve the stability of SiCNWs structure, and the effect of hydroxyl is better than hydrogen passivation. And hydrogen and hydroxyl passivation both increase the band gap of SiCNWs, and the changing trend of band gap is relevant to the polarity of the covalent bond formed by the passivation of surface atoms. Moreover, passivation enhances the stability of the optical properties of SiCNWs, resulting in narrowing of light absorption, photoconductivity and other spectra, and the response peak shifts to the deep ultraviolet region, which means that hydrogen or hydroxyl passivation of SiCNWs is likely to be a candidate material for deep ultraviolet micro-nano optoelectronic devices.
KW - Electrical and optical properties
KW - First-principles calculation
KW - Hydrogen and hydroxyl groups
KW - Passivation performance
KW - Silicon carbide nanowires
UR - http://www.scopus.com/inward/record.url?scp=85075473772&partnerID=8YFLogxK
U2 - 10.1016/j.physleta.2019.126106
DO - 10.1016/j.physleta.2019.126106
M3 - Article
AN - SCOPUS:85075473772
SN - 0375-9601
VL - 384
JO - Physics Letters, Section A: General, Atomic and Solid State Physics
JF - Physics Letters, Section A: General, Atomic and Solid State Physics
IS - 4
M1 - 126106
ER -