THE INVESTIGATION OF THE ELECTRON BEHAVIOR OF SnO2 BY THE SIMULATION METHODS GGA AND mBJ ASSOCIATED WITH THE EELS EXPERIMENTAL ANALYSIS TECHNIQUE

Abstract

The semiconductor SnO 2 is an important material to be used in different fields as the monitoring of air pollution, toxic gas and other applications as solar cells, optoelectronic devices, etc. The simulation method such as the generalized gradient approximation (GGA) of SnO 2 is very interesting in determining its lattice parameters with accuracy in comparison with the experimental data. The GGA simulation method and the one established by Becke and Johnson mBJ are useful for predicting the electronic properties related to the charge distribution of SnO 2 compound. The calculated density of states and the charge density are well confirmed owing to the experimental results related to the electron energy loss spectroscopy (EELS) technique, very sensitive to the characterization of materials.