scholarly journals 3C-SiC-induced peak emission intensity in photoluminescence spectrum of SiC/SiO2 core–shell nanowires using first-principles calculations

AIP Advances ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 065214
Author(s):  
Song-Ming Hsu ◽  
Shan-Haw Chiou ◽  
Chong-Chi Chi ◽  
Bo-Yu Chen ◽  
Chuenhou (Hao) Ouyang
Keyword(s):  
First Principles ◽  
Emission Intensity ◽  
Photoluminescence Spectrum ◽  
Core Shell ◽  
First Principles Calculations ◽  
Peak Emission ◽  
Shell Nanowires

Regulating the electronic and optical properties of GaN/InN core/shell nanowires: A first-principles study

2020 ◽  
Vol 34 (25) ◽  
pp. 2050214 ◽  
Author(s):  
Chang Liu ◽  
Enling Li ◽  
Tuo Peng ◽  
Kaifei Bai ◽  
Yanpeng Zheng ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Core Shell ◽  
First Principles Calculations ◽  
Electronic And Optical Properties ◽  
Gan Nanowires ◽  
The Core ◽  
Light Region ◽  
Calculation Results ◽  
Shell Nanowires

In this paper, electronic and optical properties of GaN/InN core/shell nanowires (CSNWs) have been theoretically investigated through the first principles calculations. The binding energy of In and N atoms on surface of six crystal planes along the [Formula: see text]-axis of GaN nanowires are all negative, which indicate that In and N atoms can be effectively deposited on the surface of GaN nanowires and preparing GaN/InN CSNWs is feasible theoretically. Calculation results of electronic properties indicate that the core/shell ratio and diameter of GaN/InN CSNWs have significant effect on the band structure, bandgap can be effectively adjusted when keeping the number of GaN layers unchanged and changing the number of InN layers. Moreover, with the increase in the number of InN layers, the absorption spectrum of GaN/InN CSNW has significant redshift and few weak absorption peaks appear in the visible light region.

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.

Giant magnetic moment of the core-shell Co13@Mn20 clusters: First-principles calculations

2011 ◽  
Vol 32 (11) ◽  
pp. 2474-2478 ◽  
Author(s):  
Qun Jing ◽  
Hai-Bin Cao ◽  
Gui-Xian Ge ◽  
Yuan Xu Wang ◽  
Hong-Xia Yan ◽  
...  
Keyword(s):  
Magnetic Moment ◽  
First Principles ◽  
Core Shell ◽  
First Principles Calculations ◽  
The Core ◽  
Giant Magnetic Moment
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