Realistic electric field modeling of multilayered nanostructures by classic electrodynamics and first principles theory

2013 ◽  
Author(s):  
L. G. Il'chenko ◽  
V. V. Il'chenko ◽  
A. V. Gavrilenko ◽  
V. I. Gavrilenko
2009 ◽  
Vol 94 (25) ◽  
pp. 252102 ◽  
Author(s):  
Erjun Kan ◽  
Hongjun Xiang ◽  
Jinlong Yang ◽  
Myung-Hwan Whangbo

2017 ◽  
Vol 31 (33) ◽  
pp. 1750310 ◽  
Author(s):  
Jia-Ning Li ◽  
San-Lue Hu ◽  
Hao-Yu Dong ◽  
Xiao-Ying Xu ◽  
Jia-Fu Wang ◽  
...  

Under the tuning of an external electric field, the variation of the geometric structures and the band gaps of the wurtzite semiconductors ZnS, ZnO, BeO, AlN, SiC and GaN have been investigated by the first-principles method based on density functional theory. The stability, density of states, band structures and the charge distribution have been analyzed under the electric field along (001) and (00[Formula: see text]) directions. Furthermore, the corresponding results have been compared without the electric field. According to our calculation, we find that the magnitude and the direction of the electric field have a great influence on the electronic structures of the wurtzite materials we mentioned above, which induce a phase transition from semiconductor to metal under a certain electric field. Therefore, we can regulate their physical properties of this type of semiconductor materials by tuning the magnitude and the direction of the electric field.


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