Nanocrystalline Eu-doped PrB6 hexaborides with tunable optical absorption: A combined experimental and density functional theory study

2022 ◽  
Vol 624 ◽  
pp. 413364
Author(s):  
Jun Wang ◽  
Lihong Bao ◽  
O. Tegus ◽  
Luo Meng Chao ◽  
Zizhong Liu
Keyword(s):  
Density Functional Theory ◽  
Optical Absorption ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory

Optical properties of pure graphene in various forms: a time dependent density functional theory study

RSC Advances ◽  
2014 ◽  
Vol 4 (92) ◽  
pp. 50606-50613 ◽  
Author(s):  
S. Chopra ◽  
L. Maidich
Keyword(s):  
Density Functional Theory ◽  
Optical Properties ◽  
Optical Absorption ◽  
Oscillator Strength ◽  
Density Functional ◽  
Time Dependent ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Dependent Density

Optical absorption in graphene nano-ribbons (GNRs) of various shapes and isomeric forms was studied using time dependent density functional theory based calculations. The highest oscillator strength was found for rectangular GNRs.

Density functional theory study on organically surface-modified silicene

RSC Advances ◽  
2015 ◽  
Vol 5 (43) ◽  
pp. 33831-33837 ◽  
Author(s):  
Rong Wang ◽  
Xiaodong Pi ◽  
Zhenyi Ni ◽  
Yong Liu ◽  
Deren Yang
Keyword(s):  
Density Functional Theory ◽  
Optical Absorption ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Band Structures ◽  
Geometrical Structures ◽  
Functional Theory ◽  
Surface Modified

The geometrical structures, band structures and optical absorption of organically surface-modified silicene have been investigated by density functional theory.

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