Proceedings of 26th Annual Technological Advances in Science, Medicine and Engineering Conference 2022

Optical properties of seven stable SnO2 polymorphs: Density functional theory
Kanimozhi Balakrishnan, Vasu Veerapandi, Vajeeston Ponniah
Abstract

Innovative and unique features of new materials with improved optical properties have made them promising candidates for new high-performance devices. Tin oxide (SnO2), is employed as the front surface electrode in all types of solar cell materials.

In this present work first-principle calculations of room temperature polymorphs of SnO2 have been performed using  Heyd-Scuseria-Ernzerhof (HSE) hybrid functional HSE06. The optical properties of seven stable SnO2 polymorphs were investigated. The study of optical functions contributes to a better knowledge of electronic structure, which has the potential to be used in semiconductor manufacturing and photoelectron devices. The real and imaginary parts of the dielectric function, absorption coefficient, extinction coefficient, reflectivity, and refractive index are calculated for in-depth analysis of the important optical properties. The optical properties of P42/mnm were given in figure 1. Anisotropic behavior is evident from the optical characteristics profile's various polarizations along the in-plane and out-of-plane directions. Also, the optical absorption coefficient is found to be very high in the ultraviolet (UV) region. Also, the refractive index of the polymorphs is scattered between 1.5 to 1.8. Calculated results are compared with the literature and are found fairly consistent 1-3.  Our research findings indicate that the polymorphs of SnO2 could be viable materials such as optoelectronic nanodevices, UV emitters and detectors, and electrical insulators.

 

 


Last modified: 2022-08-20
Building: TASME Center
Room: Engineering Hall
Date: August 28, 2022 - 01:30 PM – 01:50 PM

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