Abstract
The present work is based upon the investigation of structural properties of technologically important compound SrxCd1-xO (x= 0.00, 0.25, 0.50, 0.75 and 1.00) of group II-VI semiconductors. The Linear Combination of Atomic Orbital method has been used within density functional theory as embodied in CRYSTAL code. The Hybrid scheme B3LYP is used for making the Kohn-Sham Hamiltonian. The effect of the composition on lattice constant, bulk modulus is investigated. The deviations of the lattice constant from the Vegard’s law were observed for three cases
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