Shape Dependent Structural Stability, Electronic and Optical Properties of CdO Nanowire

Structural stability, electronic and optical properties of CdO bulk and different shaped nanowires have been investigated through spin polarized generalized gradient approximation (SGGA) and spin polarized Meta generalized gradient approximation (SMGGA) based density functional theory approach. Structure stability identified in terms of total energy minimization, binding energy and bond length. Among all the considered geometries of CdO, bulk structure shows the highest band gap 2.43 eV in SMGGA and decreases from linear shape nanowire → cube shape nanowire. Optical properties of CdO bulk as well as nanowires have also been analyzed through computation of dielectric function.