Investigation of Electronic and Band Structures of CdBr2 by DFTP Method

In this paper we studied the CdBr2 structure properties, for example lattice constant, bulk module, energy band structure, volume optimization and electronic charge. The calculation have been performed using PWscf method in the framework of density functional theory by Espresso package. The obtained results showed the existence of energy gap 2.8 eV in Γ point ,and also an ionic feature for this compound . The calculation is good agreement with other results.
In this paper we studied the CdBr2 structure properties, for example lattice constant, bulk module, energy band structure, volume optimization and electronic charge. The calculation have been performed using PWscf method in the framework of density functional theory by Espresso package. The obtained results showed the existence of energy gap 2.8 eV in Γ point ,and also an ionic feature for this compound . The calculation is good agreement with other results.In this paper we studied the CdBr2 structure properties, for example lattice constant, bulk module, energy band structure, volume optimization and electronic charge. The calculation have been performed using PWscf method in the framework of density functional theory by Espresso package. The obtained results showed the existence of energy gap 2.8 eV in Γ point ,and alsagreement with other results.