TY - JOUR JF - opsi JO - ICOP & ICPET _ INPC _ ICOFS VL - 23 IS - 0 PY - 2017 Y1 - 2017/2/01 TI - A Study of the Electronic and Optical Properties of CdSiP2 Based on Density Functional Theory TT - مطالعه خواص اپتیکی و الکترونیکی CdSiP2 بر پایه نظریه تابعی چگالی N2 - In this study, the electronic and optical properties of chalcopyrite CdSiP2 have been investigated in the framework of density functional theory (DFT) using GGA-WC and B3LYP functionals. The electronic properties included band structure and density of states, and optical properties included dielectric function, absorption coefficient, refractive index and extinction coefficient, and reflectance have been calculated and the results are compared with experimental data. The results show that despite the fact that the hybrid B3LYP functional provides more accurate band structure profile, the GGA-WC functional can be successfully used to estimate the optical properties of CdSiP2. SP - 597 EP - 600 AU - Golzan, Maqsood AU - mahmoodi, sima AD - KW - Electronic properties KW - Optical properties KW - Density functional theory KW - CdSiP2. UR - http://opsi.ir/article-1-1256-en.html ER -