Javdani, Zohre

[ 1 ] - Calculation of structural ,electronical and optical properties TiO2 in anatase phase

In this Paper, the structural, electronic and optical properties of TiO2 compound are investigated and calculated.The calculations were performed using the full potential linear augmented plane wave (PP-PW) method within density functional theory (DFT)and using the Wien2k package.Structural properties such as lattice constants, bulk modulus and compressibility of this combination are calculated...