Structural, Elastic, Electronic and Optical Properties of Zinc-Blende MTe (M=Zn/Mg)

2013 ◽  
Vol 29 (05) ◽  
pp. 929-936 ◽  
Author(s):  
GUO Lei ◽  
◽  
HU Ge ◽  
FENG Wen-Jiang ◽  
ZHANG Sheng-Tao ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic And Optical Properties ◽  
Zinc Blende

Electronic and optical properties of zinc-blende GeC by first principles study

2015 ◽  
Vol 29 (20) ◽  
pp. 1550103
Author(s):  
Jinhui Zhai ◽  
Jinguang Zhai ◽  
Ajun Wan
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Density Functional ◽  
Dielectric Constants ◽  
Electronic And Optical Properties ◽  
Optical Functions ◽  
Zinc Blende ◽  
The Density Functional Theory ◽  
Valence Bands ◽  
Energy Dependent

The electronic and optical properties of zinc-blende (zb)[Formula: see text]GeC have been investigated using first principles calculations based on the density functional theory (DFT). The obtained band gap of zb–GeC is 2.30[Formula: see text]eV by means of Heyd–Scuseria–Ernzerhof (HSE) functional. We have discussed the energy-dependent optical functions including dielectric constants, refractive index, absorption, reflectivity, and energy-loss spectrum in detail. The results reveal that zb–GeC has a higher static dielectric constant compared with that of zb–SiC. The optical functions are mainly associated with the interband transitions from the occupied valence bands (VBs) Ge[Formula: see text][Formula: see text] and C[Formula: see text][Formula: see text] states to Ge[Formula: see text][Formula: see text], [Formula: see text] and C[Formula: see text][Formula: see text] states of the unoccupied conduction bands (CBs).

Calculation of electronic and optical properties of zinc blende GaP1−xNx

1998 ◽  
Vol 23 (2) ◽  
pp. 453-465 ◽  
Author(s):  
F. Benkabou ◽  
J.P. Becker ◽  
M. Certier ◽  
H. Aourag
Keyword(s):  
Optical Properties ◽  
Electronic And Optical Properties ◽  
Zinc Blende
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