Electronic Structure and Optical Properties ofGaAs1-xBixAlloy
2014 ◽
Vol 2014
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pp. 1-7
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Keyword(s):
A first-principles study has been performed to investigate the structural and electronic properties of theGaAs1-xBixsystem. The simulations are based upon the generalized gradient approximation (GGA) within the framework of density functional theory (DFT). Calculations are performed to different Bi concentrations. The lattice constant ofGaAs1-xBixincreases with Bi concentration while the alloy remains in the zinc-blende structure. The band gap ofGaAs1-xBixclearly shrinks with the Bi concentration. The optical transition of Bi dopant in GaAs exhibits a red shift. Besides, other important optical constants, such as the dielectric function, reflectivity, refractive index, and loss function also change significantly.
2012 ◽
Vol 26
(29)
◽
pp. 1250151
2007 ◽
Vol 62
(7)
◽
pp. 971-976
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2010 ◽
Vol 24
(10)
◽
pp. 953-962
◽
First-principles investigation of the elastic and thermodynamic properties of ReC2 (Re = Ho, Nd, Pr)
2015 ◽
Vol 29
(01)
◽
pp. 1450256
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2012 ◽
Vol 217-219
◽
pp. 1811-1814