Abstract
In this study, structural, electrical and optical properties of doped and un-doped TiO2 were investigated. Calculations for the analysis of all properties were carried in density functional theory implemented in Wien2k code. Comparison of all the properties was carried of un-doped TiO2, and Ni & Eu doped TiO2. The FP-LAPW was used for description of Kohn-Sham (KS) and properties related to ground state were analyzed. Deformation in the structure was observed due to the ionic radii and electronic configuration of dopant atoms. While analyzing electrical properties, change in the density of the states was observed attributed to the fact of replacement of Ti by Ni and Eu. Band gap was reduced in mono-doped and co-doped TiO2 as a result of which co-efficient of absorption was increased in region of visible light thus making it a potential candidate for applications in the field of solar energy.
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