Exploring the Structure, Optical and Electronic Properties of New PVA–PEO–Ba–Si3N4 Structures for Electronics Applications

The present work aims to design the new PVA-PEO-Ba-Si 3 N 4 structures to use them in various optoelectronics nanodevices.The structural, thermal, optical and electronic characteristics of PVA-PEO-Ba-Si 3 N 4 structures are studied.The structure of PVA-PEO-Ba-Si 3 N 4 is analysed by GaussView 5.0.8 and relaxed using the Gaussian 09 package of programs employing the density functional theory (DFT) with the B3LYP/LanL2DZ level.The studied characteristics of PVA-PEO-Ba-Si 3 N 4 structures include the energy, ionization potentials, energy gap, and electron affinity.The PVA-PEO-Ba-Si 3 N 4 structures are optimized successfully with the Gaussian 09 package.The results show that the PVA-PEO-Ba-Si 3 N 4 structures have good optical and electronic properties.In addition, the PVA-PEO-Ba-Si 3 N 4 nanostructures have wide absorption spectrum that makes the PVA-PEO-Ba-Si 3 N 4 structures suitable in various electronics devices like transistors, photovoltaic cell, sensors and other devices.