Electronic states in low-dimensional nano-structures: Comparison between the variational and plane wave basis method

2017 ◽  
Vol 104 ◽  
pp. 37-45 ◽  
Author(s):  
Min Hu ◽  
Hailong Wang ◽  
Qian Gong ◽  
Shumin Wang
2010 ◽  
Vol 24 (23) ◽  
pp. 2403-2412 ◽  
Author(s):  
XIAO-HUA ZHOU

The shapes of DNA, carbon nanotube (CNT) and vesicle are determined by the minimum of their elastic energy. Two central results about the low-dimensional elastic structure are reported here. Firstly, if the energy density of a one-dimensional structure is only related to its curvature, we generally find that a helix solution with the helix angle θ = ±π/4 will have zero total energy. Secondly, with the fixed length and radii, the helical multi-walled carbon nanotubes (MWNTs) and DNA will have the lowest energy when the helix angle θ = ±π/3.


1998 ◽  
Vol 7 ◽  
pp. 437-442 ◽  
Author(s):  
S. Kagoshima ◽  
Y. Saito ◽  
N. Hanasaki ◽  
T. Hasegawa ◽  
T. Osada ◽  
...  

2003 ◽  
Vol 803 ◽  
Author(s):  
Nazim Mamedov ◽  
Kazuki Wakita ◽  
Seiji Akita ◽  
Yoshikazu Nakayama

ABSTRACTRoom temperature ellipsometric measurements of low dimensional TlMeX2 (Me=Ga, In; X=S,Se,Te) were performed in the photon energy range 1.5–6.5e V.Obtained ellipsometric data were then treated with allowance for optical anisotropy of the above materials. The components of dielectric function tensor were determined. The structures of the obtained dielectric function are interpreted in terms of the angle resolved photoemission and band structure results. The contribution of the atomic states of each atom (Tl, In, Se) in the band states in the point M of the Brillouin zone is traced back using LCAO analysis. An ultraviolet window in the joint density of electronic states of some of TlMeX2 is disclosed and substantiated to be a sign of ferroelectricity at room temperature. For the first time the nanorods of TlMeX2 are demonstrated.


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