First-principles study on the electronic and optical properties of Sn(x)Gei(1) - (x)
ABSTRACT The electronic and optical properties of the direct band gap alloys Sn(x)Ce(1) (-) (x) (x = 0.000, 0.042, 0.083, 0.125, 0.167, and 0.208) have been studied by using the generalized gradient approximation in the framework of the density functional theory. The calculated lattice constants obey Vergard's law. The band structures show that the alloys have direct band gap and the band gaps can be tunable by Sn contents. The optical properties of the Sn Gel alloys with the physical quantities such as the complex dielectric function, the energy-loss function and the static dielectric constant, respectively, are shown to support the potential application of infrared devices in the future. (C) 2010 Elsevier B.V. All rights reserved.