INVESTIGATION OF STRUCTURAL, ELECTRONIC, ELASTIC AND OPTICAL PROPERTIES OF Cd1-x-yZnxHgyTe ALLOYS

Structural, optical and electronic properties elastic constants of Cd1-x-yZnx HgyTe alloys have been studied by employing the commercial code Castep based on density functional theory. The generalized gradient approximation local were utilized as exchange correlation. Using for compounds, bulk modulus, band gap, Fermi energy Kramers–Kronig relations, dielectric refractive index found through calculations. Apart from these, X-ray measurements revealed Vegard’s law. It is seen that results obtained theory experiments are all in agreement.