scholarly journals First Principles Study of Si/Ge Core-Shell Nanowires ---- Structural and Electronic Properties

10.5772/16298 ◽  
2011 ◽  
Author(s):  
Xihong Peng ◽  
Fu Tang ◽  
Paul Log
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Core Shell ◽  
First Principles Study ◽  
Structural And Electronic Properties ◽  
Shell Nanowires

Structural and electronic properties of SiC/AlN core/shell nanowires: a first-principles study

2014 ◽  
Vol 28 (25) ◽  
pp. 1450195 ◽  
Author(s):  
Junfeng Ren ◽  
Yanru Zhang ◽  
Lin Zhang ◽  
Xiaobo Yuan ◽  
Guichao Hu
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Density Functional ◽  
Core Shell ◽  
First Principles Calculations ◽  
Surface Type ◽  
Functional Theory ◽  
Structural And Electronic Properties ◽  
Small Ratio ◽  
Shell Nanowires

The structural stabilities and electronic properties of passivated and unpassivated SiC / AlN core/shell nanowires (CSNWs) along [0001] direction are investigated by using first-principles calculations with density functional theory. Our calculations demonstrate that thick AlN shell and small ratio of SiC core make the SiC / AlN CSNWs more stable. The band gaps decrease with the increasing of the CSNWs diameters. After passivation at the surface, type of SiC / AlN heterostructure changes and the mobility can be improved by increasing the CSNWs diameter and the SiC core ratio. These results provide an effective way to modulate the electronic properties of SiC / AlN structure, which is useful for fabrications and applications of CSNWs.

Structural and electronic properties of [0001] AlN nanowires: A first-principles study

2008 ◽  
Vol 104 (8) ◽  
pp. 084313 ◽  
Author(s):  
Yelong Wu ◽  
Guangde Chen ◽  
Honggang Ye ◽  
Youzhang Zhu ◽  
Su-Huai Wei
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
First Principles Study ◽  
Structural And Electronic Properties
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