TY - JOUR JF - opsi JO - ICOP & ICPET _ INPC _ ICOFS VL - 20 IS - 0 PY - 2014 Y1 - 2014/1/01 TI - Investigation of the Optical Properties of SiO2 Using DFT and PBE Functional and PBEsol Functional TT - بررسی ویژگی های اپتیکی بتا کوارتز با استفاده از نظریه تابعی چگالی و تابعی های PBE و PBEsol N2 - 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. SP - 425 EP - 428 AU - Kangarlou, Haleh AU - birashk, samin AD - KW - Optical Properties KW - DFT KW - PBE KW - PBEsol KW - SiO2 KW - WIEN2k UR - http://opsi.ir/article-1-205-en.html ER -