Citation: CUI Jian- ng, ZHANG Xia, YAN Xin, LI Jun-Shuai, HUANG Yong-Qing, REN Xiao-Min. Electronic Structure Modulation of GaAs Nanowires by Surface Modification[J]. Acta Physico-Chimica Sinica, ;2014, 30(10): 1841-1846. doi: 10.3866/PKU.WHXB201408042 shu

Electronic Structure Modulation of GaAs Nanowires by Surface Modification

1.
State Key Laboratory of Information Photonics & Optical Communications, Beijing University of Posts and Telecommunications, Beijing 100876, P. R. China

Received Date: 26 May 2014
Available Online: 4 August 2014
Fund Project:

The electronic structure tailoring of GaAs nanowires through surface modification was investigated by first-principles calculations. The effect of different surface-passivation materials (H, F, Cl, Br, and I) on the electronic structure of the GaAs nanowires was studied. The results show that for different atoms, the tailoring of the electronic structure is mainly determined by their passivation ability. The surface modification tunes the bandgap and also the bandgap types. The electronic structure of the GaAs nanowires was determined by the surface states and the quantum-confinement effect jointly. The amplitude of the bandgap variation on the diameter is different for the GaAs nanowires modified with different materials. Surface modification offers a new way to tailor the bandgap of GaAs nanowires without changing their diameter or crystal structure.
- GaAs nanowire,
- First-principles calculation,
- Surface dangling bond,
- Surface modification,
- Electronic structure
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