The electronic structure, density of state (DOS) and electronic density of state inparaelectric cubic crystal Ba TiO3 are studied using full potential-linearized augmented plane wave (FP-LAPW) method in the framework of the density functional theory (DFT) with the generalized gradient approximation (GGA) by the WIEN2K package. The results show a direct band gap of 1.8 eV at the point in the Brillouin zone. The calculated band structure and density of state of BaTiO3 are in good agreement with theoretical and experimental results.
H. Salehi, , S. M. Hosseini, and N. Shahtahmasebi, (2019). Calculation of electronic structure and density of state for BaTiO3. Iranian Journal of Physics Research, 3(3), 169-175.
MLA
H. Salehi, , , S. M. Hosseini, , and N. Shahtahmasebi, . "Calculation of electronic structure and density of state for BaTiO3", Iranian Journal of Physics Research, 3, 3, 2019, 169-175.
HARVARD
H. Salehi , S. M. Hosseini , N. Shahtahmasebi (2019). 'Calculation of electronic structure and density of state for BaTiO3', Iranian Journal of Physics Research, 3(3), pp. 169-175.
CHICAGO
H. Salehi, S. M. Hosseini and N. Shahtahmasebi, "Calculation of electronic structure and density of state for BaTiO3," Iranian Journal of Physics Research, 3 3 (2019): 169-175,
VANCOUVER
H. Salehi , S. M. Hosseini , N. Shahtahmasebi Calculation of electronic structure and density of state for BaTiO3. Dear user; Recently we have changed our software to Sinaweb. If you had already registered with the old site, you may use the same USERNAME but you need to change your password. To do so at the first use, please choose, 2019; 3(3): 169-175.
