SPECTROSCOPIC PROPERTIES OF INDIUM-DOPED CdO NANOSTRUCTURES SUPPORTED BY DFT CALCULATIONS

Indium-doped cadmium oxide nanocrystals are examined using experimental and theoretical techniques. Raman, UV–Vis, and XRD facilities are used to examine Indium-doped CdO nanostructures with three doping ratios 2%, 4% and 6% weight percentages. Density functional theory (DFT) is used to check and compare lattice constants, energy gaps, and Raman vibrational properties. The presently suggested cages for the cubic rock-salt structured clusters adopted by CdO are called cuboids. These cuboids are investigated in bare, and hydrogen surface passivated cases. Experimental results of In-doped CdO show an increase of lattice constants and energy gap. The same trend is observed using density functional theory calculations. The experimental longitudinal optical Raman peak at 556cm−1 encounters blue shifting to 561.5 cm−1 at 6% weight percentages In doping. This result is in the same trend using DFT calculations of In-doped CdO hydrogen passivated tetracuboid molecular cluster that shifted from 510.2cm−1 to 531.3cm−1 upon In doping. No Burstein–Moss effect is observed by the theoretical model.