YANG Mao1, SHI Jun-Jie1**, MEI Wei-Ning2, WANG Lu2, ZHANG Min3
1State Key Laboratory for Mesoscopic Physics, and Department of Physics, Peking University, Beijing 100871 2Department of Physics, University of Nebraska at Omaha, Omaha, Nebraska 68182-0266, USA 3College of Physics and Electron Information, Inner Mongolia Normal University, Hohhot 010022
Abstract：We investigate the electronic structures of InGaN2 nanotubes (NTs) using first-principles calculations. It is found that all four types of InGaN2 NTs, with the same diameter, have similar stability. The total energy of the per unit InGaN2 NT depends on its diameter due to the curvature effect. The zigzag (armchair) InGaN2 NTs have direct (indirect) band gaps. The band gap increases for all of the InGaN2 NTs when their diameters increase. The valence band maximum (VBM) states of the InGaN2 NTs are p-like states localised around N atoms. The p-like VBM states in zigzag (armchair) InGaN2 NTs are perpendicular (parallel) to the tube axis.
(Density functional theory, local density approximation, gradient and other corrections)
引用本文:
. [J]. 中国物理快报, 2012, 29(10): 107301-107301.
YANG Mao, SHI Jun-Jie, MEI Wei-Ning, WANG Lu, ZHANG Min. Electronic Structures of InGaN2 Nanotubes. Chin. Phys. Lett., 2012, 29(10): 107301-107301.
2012, Vol. 29 
