Author:
Yu Feng ,Wang Pei-Ji ,Zhang Chang-Wen ,
Abstract
Using first-principles full potential linearized augmented plane wave method (FP-LAPW), we present the isosurface of spin density, total density of states and optical properties of undoped SnO2, substitutional N for O and substitutional N for Sn in SnO2. The results show that the band gap in two kinds of N-doped SnO2 is wider than that of SnO2 eigenstate, and the imaginary part of the dielectric function makes a blue shift corresponding to the increasing band gaps. It points out the relationship between electronic structure and optical properties in theory.
Publisher
Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
Subject
General Physics and Astronomy
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