Dimensionality of electronic excitations in organic semiconductors: A dielectric function approach

2007 ◽  
Vol 76 (23) ◽  
Author(s):  
Mariano Campoy-Quiles ◽  
Jenny Nelson ◽  
Donal D. C. Bradley ◽  
Pablo G. Etchegoin
Keyword(s):  
Organic Semiconductors ◽  
Dielectric Function ◽  
Function Approach ◽  
Electronic Excitations

Total-dielectric-function approach to electron and phonon response in solids

1995 ◽  
Vol 51 (10) ◽  
pp. 6500-6514 ◽  
Author(s):  
David R. Penn ◽  
Steven P. Lewis ◽  
Marvin L. Cohen
Keyword(s):  
Dielectric Function ◽  
Function Approach

Dielectric Function and Electronic Excitations of Functionalized DNA Thin Films

2010 ◽  
Vol 49 (6) ◽  
pp. 061601 ◽  
Author(s):  
Hosuk Lee ◽  
Hosun Lee ◽  
Jung Eun Lee ◽  
U Rha Lee ◽  
Dong Hoon Choi
Keyword(s):  
Thin Films ◽  
Dielectric Function ◽  
Electronic Excitations

Intrinsic Electronic Structures and Optical Anisotropy of α- and β-Phase Copper Phthalocyanine Molecular Crystals

2017 ◽  
Vol 864 ◽  
pp. 133-141
Author(s):  
Xue Yan Wang ◽  
Jian Bang Zheng ◽  
Xiao Jiang Li ◽  
Chong De Cao
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
Organic Semiconductors ◽  
Dielectric Function ◽  
Electronic Structures ◽  
Optical Anisotropy ◽  
Density Functional ◽  
Copper Phthalocyanine ◽  
Molecular Crystals ◽  
Β Phase

Electronic structures and optical anisotropy of α- and β-phase copper phthalocyanine (CuPc) molecular crystals have been systemically investigated by first-principles calculations based on Density Functional Theory (DFT). Both crystals were shown to be small gap organic semiconductors with relatively flat and dispersionless bands. The α-CuPc was a direct band gap semiconductor, whereas the β-CuPc was an indirect band gap semiconductor. The analysis of Partial Density of States (PDOS) showed that the top of valance band was mainly contributed by N 2p and C 2p states; the bottom of the conduction band was mainly contributed by N 2p, C 2p and Cu 3d states. The interband optical properties, such as the complex dielectric function, absorption coefficient and complex refractive index, showed a high degree of anisotropy that can be traced to the unique structures of these molecular crystals. The calculated dielectric function for α-CuPc in the low energy region was consistent with the experiment results proposed in the literature. These calculations provided particular interpretations on electronic structure and optical properties of α- and β-CuPc organic semiconductors that were critical to optoelectronics, which would promote the applications of these materials in semiconductor optoelectronic devices.

Sign in / Sign up

Export Citation Format

Share Document