Ab initio investigation of the structural stability and optical properties of low-density amorphous carbon doped with N, B, and Fe

2012 ◽  
Vol 131 (5) ◽  
Author(s):  
Charles W. Bauschlicher ◽  
John W. Lawson
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Structural Stability ◽  
Amorphous Carbon ◽  
Low Density ◽  
Carbon Doped

Optical Properties of Amorphous Carbon Doped with Copper

1994 ◽  
Vol 349 ◽  
Author(s):  
Vladimir I. Ivanov-Omskii ◽  
M.I. Abaev ◽  
S.G. Yastrebov
Keyword(s):  
Optical Properties ◽  
Dielectric Permittivity ◽  
Concentration Dependence ◽  
Dielectric Function ◽  
Imaginary Part ◽  
Amorphous Carbon ◽  
Copper Content ◽  
Argon Plasma ◽  
Carbon Doped ◽  
Conductive Phase

ABSTRACTWe report the optical properties of amorphous C:Cu films produced by co-sputtering of graphite and copper targets in an argon plasma. Ellipsometric measurements at 632.8 nm were performed to evaluate dielectric permittivity vs copper content. We have observed a pronounced peculiarity of imaginary and real parts of the dielectric function at a copper content of about 14%. A correlation between the concentration dependence of the DC conductivity and that of the imaginary part of permittivity is clearly demonstrated. This correlation points to the existence of a less-conductive phase with the stoichiometric formula CuC6.

Amorphous graphene: a constituent part of low density amorphous carbon

2018 ◽  
Vol 20 (29) ◽  
pp. 19546-19551 ◽  
Author(s):  
Bishal Bhattarai ◽  
Parthapratim Biswas ◽  
Raymond Atta-Fynn ◽  
D. A. Drabold
Keyword(s):  
Ab Initio ◽  
Amorphous Carbon ◽  
Porous Carbon ◽  
Low Density ◽  
Constituent Part ◽  
Atom Model ◽  
Amorphous Graphene

An 800-atom model of nano-porous carbon obtained from anab initiomethod. The topology is warped/wrapped amorphous graphene.

Structural stability and optical properties of AlN explored by ab initio calculations

2010 ◽  
Vol 405 (2) ◽  
pp. 555-558 ◽  
Author(s):  
Wenxia Feng ◽  
Shouxin Cui ◽  
Haiquan Hu ◽  
Wei Zhao ◽  
Zizheng Gong
Keyword(s):  
Optical Properties ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Structural Stability

scholarly journals Modulating the thermal and structural stability of gallenene via variation of atomistic thickness

2021 ◽  
Author(s):  
Stephanie Lambie ◽  
Krista G. Steenbergen ◽  
Nicola Gaston
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Structural Stability ◽  
Variable Thickness

Using ab initio molecular dynamics, we show that a recently discovered form of 2D Ga—gallenene—exhibits highly variable thickness dependent properties.

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