Title :
Optical properties of Ni doped 3C-SiC with ab initio calculations
Author :
Houmad, M. ; Abbassi, A. ; Benyoussef, A. ; Ez-Zahraouy, H. ; El Kenz, A.
Author_Institution :
Dept. of Phys., Lab. of Magn. & Phys. of High Energy, Rabat, Morocco
Abstract :
The optical properties of Ni doped 3C-SiC, with different concentrations, were studied by using the full potential linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA) and GGA Modified Becke Johnson (GGA-mBJ) within Wien2k package. The obtained results within GGA-mBJ approximation are in good agreement with experimental data. The electrical conductivity increases with increasing Ni concentration in doped 3C-SiC. The optical absorption, transmission and refractive index are also investigated.
Keywords :
APW calculations; ab initio calculations; electrical conductivity; gradient methods; nickel; refractive index; silicon compounds; wide band gap semiconductors; FP-LAPW; GGA modified Becke Johnson; SiC:Ni; ab initio calculations; electrical conductivity; full potential linearized augmented plane wave method; generalized gradient approximation; nickel concentration; optical absorption; optical properties; optical transmission; refractive index; Electrodes; Energy measurement; Integrated optics; Nickel; Silicon; Semiconductors; ab initio calculations; electronic structure; optical properties;
Conference_Titel :
Renewable and Sustainable Energy Conference (IRSEC), 2014 International
Print_ISBN :
978-1-4799-7335-4
DOI :
10.1109/IRSEC.2014.7059766
