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Baekhtyar salmani pak N, Kangarlou H. Study of Optical Properties of Titanium Nitride (TiN) Based on DFT Calculation and using by LDA and GGA approximation. ICOP & ICPET _ INPC _ ICOFS 2014; 20 :453-456
URL: http://opsi.ir/article-1-215-en.html
URL: http://opsi.ir/article-1-215-en.html
Abstract: (18454 Views)
Abstract- According to Interesting optical properties and many uses of Titanium Nitride (TiN) in the industry in this paper, the optical properties of TiN have been investigated. These investigations are done by using the linearized augmented plane wave method (LAPW) within density functional theory (DFT) with WIEN2k package.To obtain the optical properties of this composition such as real and imaginary part of dielectric function, refractive index and the extinction coefficient, energy loss function and optical conductivity have been used local spin density approximation (LDA) and generalized gradient approximation (GGA) and LDA, GGA-PBE and GGA-PBEsol functional, and finally the results have been compared. Obtained results for lattice parameters are in good agreement with experimental results.
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