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ICOP & ICPET 2017, 23 - : 597-600 Back to browse issues page
A Study of the Electronic and Optical Properties of CdSiP2 Based on Density Functional Theory
Maqsood Golzan Seyyed * , Sima Mahmoodi
Abstract:   (939 Views)

 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.

Keywords: Electronic properties, Optical properties, Density functional theory, CdSiP2.
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Type of Study: Research | Subject: Special
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Golzan M, mahmoodi S. A Study of the Electronic and Optical Properties of CdSiP2 Based on Density Functional Theory. ICOP & ICPET. 2017; 23 :597-600
URL: http://opsi.ir/article-1-1256-en.html


Volume 23 - Back to browse issues page
انجمن اپتیک و فوتونیک ایران Optics and Photonics Society of Iran
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