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birashk S, Kangarlou H, Abdollahi A. Investigation of the Optical Properties of SiO2 Using DFT. ICOP & ICPET _ INPC _ ICOFS 2014; 20 :421-424
URL: http://opsi.ir/article-1-203-en.html
URL: http://opsi.ir/article-1-203-en.html
Abstract: (5919 Views)
In this paper optical properties such as dielectric function, absorption coefficient ، energy loss function and reflectivity coefficient of SiO2 crystal have been studied. The calculation have been performed using the Full-Potential-Linearrised Argumented Plane Waves (FP-LAPW) method within the framework density functional theory (DFT) by WIEN2K package.
Optical properties is calculated by (LSDA) approximations and (GGA) approximation with WC functional .The results revealed that optical properties are anisotropic along x and z directions.
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