AB INITIO STUDY OF STRUCTURAL, ELECTRONIC AND OPTICAL PROPERTIES OF Al-DOPED SnO2

Digest Journal of Nanomaterials and Biostructures

M. Kashif¹ 

关键词: Al-doped SnO2;    Transparent conducting oxide;    Low reflectivity;    Band gap.;   

DOI  :  

学科分类：生物技术

来源: Institute of Materials Physics

【 摘 要 】

The structural, electronic and optical properties of pu re and doped trivalent elementAl (x=0, 0.0625, in SnO 2 have been studied using full potential linearizedaugmented plane wave (FP LAPW) method based on dens ity functional theory . Thestructural and electronic results indicate d th at as the Al concentration increases in rutiletetragonal SnO 2 , lattice parameters decrease s 0.01 Å and 0.02 Å and for c are 0.02 Å and 0.038 Å) and band gap increases 2.84 ~ 3.17 eV Fermi level shift into valence band andmaterial tend s to convert into p type semiconductor . O ptical properties shows, that withincreasing Al concentration in SnO 2 transparency increases and absorption spectrum has asignificant blue shift . Furthermore, high static value of dielectric constant (10.5), refractiveindex (3.45) and low reflectivity was observed in visible region. The wide band gap andtransparent behavior for ultra violet and visible region makes it important material fortransparent applications.

【 授权许可】

Unknown