Electronic and optical properties of calcium, strontium and barium chalcogenide compounds in NaCl structure are studied using the band structure results obtained through the full potential linearized augmented palne wave method. Different linear relationships are observed between theoretical band gap and 1/a2 (where a is lattice constant) for calcium, strontium and barium chalcogenide compounds with and without oxygen, respectively. An abnormal behavior of electronic and optical properties are found for compounds containing oxygen. These effects are ascribed to the special properties of Ca-O, Sr-O and Ba-O bonds, which are different from chemical bonds between Ca, Sr and Ba and other chalcogen atoms.
Dadsetani, M. & Beiranvand, R. (2019). The effect of oxygen impurity on the electronic and optical properties of calcium, strontium and barium chalcogenide compounds. Iranian Journal of Physics Research, 10(3), 187–196.
MLA
Dadsetani, M., & Beiranvand, R. "The effect of oxygen impurity on the electronic and optical properties of calcium, strontium and barium chalcogenide compounds", Iranian Journal of Physics Research, 10, 3, 2019, 187–196.
HARVARD
Dadsetani, M., & Beiranvand, R. (2019). 'The effect of oxygen impurity on the electronic and optical properties of calcium, strontium and barium chalcogenide compounds', Iranian Journal of Physics Research, 10(3), pp. 187–196.
CHICAGO
Dadsetani, M. & Beiranvand, R., "The effect of oxygen impurity on the electronic and optical properties of calcium, strontium and barium chalcogenide compounds." Iranian Journal of Physics Research, 10 3 (2019): 187–196,
VANCOUVER
Dadsetani M., Beiranvand R. The effect of oxygen impurity on the electronic and optical properties of calcium, strontium and barium chalcogenide compounds. Iranian Journal of Physics Research. 2019;10(3):187–196 (In Persian).
