scholarly journals Theoretical study of electronic structure and optical properties of OsnN0,(n=1 6) clusters

2011 ◽  
Vol 60 (8) ◽  
pp. 083601
Author(s):  
Zhang Xiu-Rong ◽  
Wu Li-Qing ◽  
Rao Qian
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Theoretical Study

scholarly journals Visible Light Photo-oxidation of Model Pollutants Using CaCu3Ti4O12: An Experimental and Theoretical Study of Optical Properties, Electronic Structure, and Selectivity

2011 ◽  
Vol 133 (4) ◽  
pp. 1016-1032 ◽  
Author(s):  
Joanna H. Clark ◽  
Matthew S. Dyer ◽  
Robert G. Palgrave ◽  
Christopher P. Ireland ◽  
James R. Darwent ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Visible Light ◽  
Theoretical Study ◽  
Photo Oxidation

Theoretical Study on the Electronic Structure and Optical Properties of Mercury-Containing Diethynylfluorene Monomer, Oligomer, and Polymer

2005 ◽  
Vol 24 (3) ◽  
pp. 385-394 ◽  
Author(s):  
Yi Liao ◽  
Ji-Kang Feng ◽  
Li Yang ◽  
Ai-Min Ren ◽  
Hong-Xing Zhang
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Theoretical Study

scholarly journals Theoretical study on the electronic structure and second-order nonlinear optical properties of benzannulated or selenophene-annulated expanded helicenes

RSC Advances ◽  
2019 ◽  
Vol 9 (30) ◽  
pp. 17382-17390 ◽  
Author(s):  
Li-jing Gong ◽  
Chun-yu Liu ◽  
Cheng Ma ◽  
Wan-feng Lin ◽  
Jin-kai Lv ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Dft Calculations ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Second Order ◽  
Nonlinear Optical Properties

The nonlinear optical properties of the studied helicenes were studied with the aid of the DFT calculations.

Theoretical study on electronic structure and optical properties of Ga0.75Al0.25N(0001) surface

2013 ◽  
Vol 273 ◽  
pp. 111-117 ◽  
Author(s):  
Yang Mingzhu ◽  
Chang Benkang ◽  
Hao Guanghui ◽  
Guo Jing ◽  
Wang Honggang ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Theoretical Study

Optical Signature of the GaN (1010) Surface

1996 ◽  
Vol 449 ◽  
Author(s):  
C. Noguez ◽  
R. Esquivel-Sirvent ◽  
D. R. Alfonso ◽  
S. E. Ulloa ◽  
D. A. Drabold
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Dielectric Response ◽  
Theoretical Study ◽  
Tight Binding ◽  
Electronic Transitions ◽  
Surface Electronic Structure ◽  
Optical Signature ◽  
Tight Binding Method ◽  
Semi Empirical

ABSTRACTWe present a theoretical study of the optical properties of the GaN (1010) surface. We employed a semi-empirical tight-binding method to calculate the surface electronic structure. The parameters were adjusted to reproduce the correct band structure of the bulk wurzite GaN. These parameters were interpolated to the surface using Harrison’s rule. From the surface electronic structure the surface dielectric response was obtained. The dielectric response is analized in terms of surface-surface, and surface-bulk electronic transitions.

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