Abstract
The effect of Si concentration on the electronic and optical properties of Si incorporated SnO2 was investigated by density functional theory. SnO2 maintained the direct bandgap after Si incorporation, and the value of bandgap enlarged as the Si concentration increased. The formation of the Si–O covalent bond could reduce electron losses of Sn atoms that resulted in the decrease of electron concentration of SnO2 through the density of states and charge density analysis. On the basis of the calculation results of the optical properties including the dielectric function, refractive index, reflectivity, absorption, and electron energy-loss spectrum, the values of these parameters were reduced at a low energy region and these curves gradually shifted toward high energy as the Si concentration increased. It suggested that the optical properties of SnO2 could be improved by the Si atom over the infrared and visible spectra.
Highlights
Transparent wide-bandgap metal-oxide semiconductors (MOSs) are promising channel materials for thin-film transistors (TFTs) of the liquid-crystal display (LCD) and active-matrix organic light emitting diode display (AMOLED) due to their high optical transparency, smooth surface, large field-effect mobility, and low process temperature.1–4 To date, amorphous indium-gallium-zincoxide (a-IGZO), a representative MOS, has been widely investigated and successfully applied in state-of-the-art displays.5 some disadvantageous characteristics of the indium element, such as rarity, toxicity, and costliness, restricted its long-term technology applications in display industry
It was noticed that the refractive index was slightly decreased and shifted toward high energy as the Si content increased at a low energy region (0–10 eV), implying that the traveling speed of light in Sn2 was elevated from 2.25e (SnO2) could be improved by the Si atom
The electronic structure and optical properties of SnO2 with different Si concentrations were investigated by firstprinciples computational methods
Summary
Transparent wide-bandgap metal-oxide semiconductors (MOSs) are promising channel materials for thin-film transistors (TFTs) of the liquid-crystal display (LCD) and active-matrix organic light emitting diode display (AMOLED) due to their high optical transparency, smooth surface, large field-effect mobility, and low process temperature. To date, amorphous indium-gallium-zincoxide (a-IGZO), a representative MOS, has been widely investigated and successfully applied in state-of-the-art displays. some disadvantageous characteristics of the indium element, such as rarity, toxicity, and costliness, restricted its long-term technology applications in display industry. Transparent wide-bandgap metal-oxide semiconductors (MOSs) are promising channel materials for thin-film transistors (TFTs) of the liquid-crystal display (LCD) and active-matrix organic light emitting diode display (AMOLED) due to their high optical transparency, smooth surface, large field-effect mobility, and low process temperature.. Tin oxide (SnO2) exhibits nontoxicity, low cost, and excellent optical and electrical properties, which has been extensively utilized in many technological fields such as gas sensors, transparent electrodes, and optoelectronic devices as an active functional material. The utilization of SnO2 TFTs in large-size driving backplane is limited by its crystallization and high net carrier densities.. Silicon (Si) has been proven to be a suitable carrier suppressor for SnO2, which could effectively suppress excess carrier concentration and promote the electrical properties of SnO2 TFT.. In the present study, to further clarify this phenomenon, the impact of the Si concentration on the electronic and optical properties of SnO2 was calculated by density functional theory (DFT) in detail
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