अनुप्रयुक्त विज्ञान अनुसंधान में प्रगति खुला एक्सेस

अमूर्त

Electron density calculation and structural analysis of Li0.5Bi0.5TiO3 ceramic

M. Nayak and Manas R. Panigrahi

Li0.5Bi0.5TiO3 ceramic powder was synthesized by high energy ball milling. The X-ray diffraction pattern of the sample was analyzed in a quantitative manner using rietveld analysis. X-rays is the finger print of a material and the diffracted intensity can be used to dig out a lot of information related to the material. Again to tailored a material it is necessary to understand the geometry of a material in a quantifying manner. So, in this study it is tried to present a indepth study of the material in term of its atomic positions, bond lengths, bond angles and energy density of different levels. Lastly, a simulated structure is presented using all the initial data available and its energy density.