OPTICS COMMUNICATIONS, cilt.284, sa.7, ss.1863-1867, 2011 (SCI-Expanded)
The structural, electronic, and optical properties of CdxZn1-xSe alloys are investigated using the first-principles plane-wave pseudopotential method within the LDA approximations. In particular, the lattice constant, bulk modulus, electronic band structures, density of state, and optical properties such as dielectric functions, refractive index, extinction coefficient and energy loss function are calculated and discussed. Our results agree well with the available data in the literature. (C) 2010 Elsevier By. All rights reserved.