عنوان مقاله [English]
نویسندگان [English]چکیده [English]
The band structure and structure parameters such as lattice constant, bulke module and… of SrHfO3 in tetragonal phase were studied by first principle using the density functional theory(DFT).The band structure and structure parametrs are calculated using the Pseudo-potential. The results show a direct band gap of4.5eV at the Γ point in the Brillouin zone. The calculated band structure and structure parametrs of SrHfO3 are in good agreement with theoretical and experimental results.