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Electronic structure and optical properties of Cr doped SnO2 superlattice

Jiang Lei Wang Pei-Ji Zhang Chang-Wen Feng Xian-Yang Lu Yao Zhang Guo-Lian

Electronic structure and optical properties of Cr doped SnO2 superlattice

Jiang Lei, Wang Pei-Ji, Zhang Chang-Wen, Feng Xian-Yang, Lu Yao, Zhang Guo-Lian
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  • Received Date:  25 November 2010
  • Accepted Date:  29 December 2010
  • Published Online:  15 September 2011

Electronic structure and optical properties of Cr doped SnO2 superlattice

  • 1. School of Physics, University of Jinan, Jinan 250022, China

Abstract: By the full-potential linearized augmented plane-wave method (FP-LAPW), we investigate the electronic structure, the band structure, the dielectric function, the absorption spectrum, the reflectivity and the refraction of Cr doped SnO2 superlattice. The generalized gradient approximation (GGA) is used for handling correlation energy. Calculation results show that due to the Cr doping, SnO2 superlattice forms new electron occupied state near Fermi energy level and uncentinuous impurity band comes into being, which is contributed by Cr-3d and O-2p, Sn-5s. In dielectric spectrum appear three new dielectric peaks between 0 eV to 5.5 eV. In high-energy area, the position of main peak has a blue-shift and the peak intensity reduces. Absorption spectrum, reflectivity spectrum and refraction spectrum also have peaks corresponding to the dielectric peaks, which are caused by d—d transition of Cr atom.

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