Investigation of Electronic Structure, Optical Properties, Molecular Electrostatic Potential maps (EPM) and Aquatic toxicity of HfO2, Hf0.88Si0.12O2, Hf0.88Ge0.12O2 and Hf0.88Sn0.12O2 by computational methods
Abstract:This research work conveys the computationally investigation of Hafnium (IV) oxide and its doped crystals by Si, Ge and Sn atom replacing on the oxygen atom in HfO2. As Hafnium (IV) oxide has been used in power-electronics devices of MOSFETs and electronics as RRAM due to wide band gap which makes a vast problems creating high resistance. Regarding this case, the Hafnium (IV) oxide has selected and inputs how the band gap has reduced after doping the large surface area of atoms, such as Si, Ge and Sn. The latt… Show more
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