investigation on the structural stability and electronic properties of insb nanostructures – a dft approach

The realistic InSb nanostructures namely InSb nanoring, InSb nanocube, InSb nanocube-18, InSb nanosheet, InSb nanocage and InSb nanocube-27 are simulated and optimized successfully using B3LYP/LanL2DZ basis set. The stability of InSb nanostructures is studied in terms of binding energy, vibrational studies and calculated energy. The electronic properties of InSb nanostructures are discussed using ionization potential, electron affinity and HOMO–LUMO gap. Point symmetry and dipole moment of InSb nanostructures are reported. Incorporation of impurity atom in InSb nanostructures is studied using embedding energy. The present study provides the information regarding the enhanced electronic properties of InSb nanostructure which finds its potential importance in microelectronics and optoelectronic devices.