scholarly journals First-principles study on the effects of high Al doped on the band gap and absorption spectrum of ZnO

2012 ◽  
Vol 61 (16) ◽  
pp. 167102
Author(s):  
Hou Qing-Yu ◽  
Dong Hong-Ying ◽  
Ying Chun ◽  
Ma Wen
Keyword(s):  
Absorption Spectrum ◽  
Band Gap ◽  
First Principles ◽  
First Principles Study

scholarly journals First-principles study on the effect of high Mn doped on the band gap and absorption spectrum of ZnO

2013 ◽  
Vol 62 (3) ◽  
pp. 037101
Author(s):  
Hou Qing-Yu ◽  
Dong Hong-Ying ◽  
Ying Chun ◽  
Ma Wen
Keyword(s):  
Absorption Spectrum ◽  
Band Gap ◽  
First Principles ◽  
First Principles Study ◽  
Mn Doped

scholarly journals First principles study of the effect of high V doping on the optical band gap and absorption spectrum of ZnO

2014 ◽  
Vol 63 (10) ◽  
pp. 107101
Author(s):  
Guo Shao-Qiang ◽  
Hou Qing-Yu ◽  
Zhao Chun-Wang ◽  
Mao Fei
Keyword(s):  
Absorption Spectrum ◽  
Band Gap ◽  
First Principles ◽  
Optical Band Gap ◽  
First Principles Study

Transition from indirect to direct band gap in SiC monolayer by chemical functionalization: A first principles study

2020 ◽  
Vol 137 ◽  
pp. 106320 ◽  
Author(s):  
D.M. Hoat ◽  
Mosayeb Naseri ◽  
Nguyen N. Hieu ◽  
R. Ponce-Pérez ◽  
J.F. Rivas-Silva ◽  
...  
Keyword(s):  
Band Gap ◽  
First Principles ◽  
Chemical Functionalization ◽  
Direct Band Gap ◽  
First Principles Study ◽  
Direct Band

Band gap engineering of FeS2 under biaxial strain: a first principles study

2014 ◽  
Vol 16 (44) ◽  
pp. 24466-24472 ◽  
Author(s):  
Pin Xiao ◽  
Xiao-Li Fan ◽  
Li-Min Liu ◽  
Woon-Ming Lau
Keyword(s):  
Band Gap ◽  
First Principles ◽  
Tensile Strain ◽  
Biaxial Strain ◽  
Band Gap Engineering ◽  
First Principles Study ◽  
Maximum Value

The band gap increases with increasing tensile strain to its maximum value at 6% strain and then decreases.

scholarly journals The structural, electronic and optical properties of γ-glycine under pressure: a first principles study

RSC Advances ◽  
2019 ◽  
Vol 9 (7) ◽  
pp. 3877-3883 ◽  
Author(s):  
Aaron Mei ◽  
Xuan Luo
Keyword(s):  
Optical Properties ◽  
Amino Acid ◽  
Band Gap ◽  
First Principles ◽  
Linear Optics ◽  
Electronic And Optical Properties ◽  
Non Linear Optics ◽  
First Principles Study ◽  
Non Linear

The crystallized amino acid γ-glycine is a large band gap insulator that shows promise in the fields of photonics and non-linear optics.

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