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ICOP & ICPET 2014, 20 - : 425-428 Back to browse issues page
Investigation of the Optical Properties of SiO2 Using DFT and PBE Functional and PBEsol Functional
Haleh Kangarlou Dr. * 1, Samin Birashk
Abstract:   (14159 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 show that the optical properties of x and z axes are diffirent and around this axis are anisotropic.
Keywords: Optical Properties, DFT, PBE, PBEsol, SiO2, WIEN2k
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Type of Study: Research | Subject: Special
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Kangarlou H, birashk S. Investigation of the Optical Properties of SiO2 Using DFT and PBE Functional and PBEsol Functional. ICOP & ICPET. 2014; 20 :425-428
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Volume 20 - Back to browse issues page
انجمن اپتیک و فوتونیک ایران Optics and Photonics Society of Iran
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