Structural and optical properties of doped silicon nanocrystals: first-principles calculation

2007 ◽  
Author(s):  
Guangsheng Fu ◽  
Huixia Gao ◽  
Wanbing Lu ◽  
Wenge Ding ◽  
Wei Yu
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Silicon Nanocrystals ◽  
First Principles Calculation ◽  
Structural And Optical Properties ◽  
Doped Silicon

First Principles Calculation of Geometrical and Electronic Structure of Semiconductor Fe1-xMnxSi2

2011 ◽  
Vol 213 ◽  
pp. 483-486
Author(s):  
Fang Gui ◽  
Shi Yun Zhou ◽  
Wan Jun Yan ◽  
Chun Hong Zhang ◽  
Xiao Tian Guo ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
First Principles ◽  
Function Theory ◽  
Density Function Theory ◽  
First Principles Calculation ◽  
First Principle ◽  
Substitutional Doping ◽  
Pseudo Potential ◽  
Mn Concentrations

The electronic structure and optical properties of Fe1-xMnxSi2 have been studied using the first principle plane-wave pseudo-potential based on the density function theory. Substitutional doping is considered with Mn concentrations of x=0.0625, 0.125, 0.1875 and 0.25, respectively. The calculated results show that the volume of β-FeSi2 increase and the band gap increase with increasing of Mn.

Electronic and optical properties of hydrogen-terminated biphenylene nanoribbon：a first-principles study

2021 ◽  
Author(s):  
Hong Shen ◽  
Riyi Yang ◽  
Kun Xie ◽  
Zhiyuan Yu ◽  
Yuxiang Zheng ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Electronic Structures ◽  
First Principles Calculation ◽  
Electronic And Optical Properties ◽  
First Principles Study

The electronic structures and optical properties of novel 2D biphenylene and hydrogen-terminated nanoribbons of different widths which are cut from a layer of biphenylene were explored by first-principles calculation. The...

Synthesis, optical properties and theoretical modelling of discrete emitting states in doped silicon nanocrystals for bioimaging

Nanoscale ◽  
2018 ◽  
Vol 10 (33) ◽  
pp. 15600-15607 ◽  
Author(s):  
B. F. P. McVey ◽  
D. König ◽  
X. Cheng ◽  
P. B. O'Mara ◽  
P. Seal ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Optical Properties ◽  
Silicon Nanocrystals ◽  
Theoretical Modelling ◽  
Fundamental Interest ◽  
Doped Silicon ◽  
The Creation

The creation of multiple emission pathways in quantum dots (QDs) is an exciting prospect with fundamental interest and optoelectronic potential.

scholarly journals A first-principles study of the electronic, structural, and optical properties of CrN and Mo:CrN clusters

2019 ◽  
Vol 45 (14) ◽  
pp. 17094-17102
Author(s):  
Khalil Ibrahim ◽  
M. Mahbubur Rahman ◽  
Hatem Taha ◽  
Syed Mahedi Hasan ◽  
Amun Amri ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Structural And Optical Properties ◽  
First Principles Study

Optical Properties of the High-Pressure Phases of SnO2: First-Principles Calculation

2010 ◽  
Vol 114 (2) ◽  
pp. 1052-1059 ◽  
Author(s):  
Yanlu Li ◽  
Weiliu Fan ◽  
Honggang Sun ◽  
Xiufeng Cheng ◽  
Pan Li ◽  
...  
Keyword(s):  
High Pressure ◽  
Optical Properties ◽  
First Principles ◽  
First Principles Calculation
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