Revealing the physical properties of semiconductor super-lattices Al
x
Ga
1-x
N and In
x
Ga
1-
x
N within the full-potential linearized augmented plane-wave approach
Moufdi HADJAB
1,2*
, Miloud IBRIR
3
, Idris BOUCHAMA
4
, Smail BERRAH
5
, Hamza ABID
2
, Samah
Boudour
1
Cheraga 16014, Algiers / Thin Films
and Applications Unit (UDCMA),Setif- Algeria.
2
Applied Materials Laboratory, Research Center, University Djillali Liabes, 22000 Sidi Bel Abbes,
Algeria.
3
Department of Physic, Faculty of Sciences, UniversitM. Boudiaf 28000 Msila, Algeria.
4
Department of Electronic, Faculty of Technology, UniversitM. Boudiaf 28000 Msila, Algeria.
5
Mastery Renewable Energies Laboratory (LMER), University of A. Mira, Bejaia, Algeria
*Corresponding authot. Tel: +213(0)699999921; E-mail:
The present work performs self-consistent
ab
-
initio
. The full-potential linearized augmented
plane-wave (FP-LAPW) approach based on density functional theory (DFT) as implemented
in the Wien2K code to predict some physical properties of the ternaries Al
x
Ga
1-x
N and
In
x
Ga
1-x
N alloys,. For the exchange-correlation potential, the local density approximation
(LDA) was used for calculating of the structural properties (the lattice parameters, bulk
modulus and its first derivate) for AlN, GaN, GaAs and InAs binary materials and theirs
alloys in zinc-blende phase. The electronic and optical properties (energy band gap, optical
dielectric function, the electron energy loss, optical conductivity, absorption coefficient,
refractive index and reflectivity) were also achieved using the modified Becke-Johnson
exchange potential+LDA correlation mBJ-LDA. Our results show a reasonable agreement
with other theoretical calculations and experimental data. Which signify that the studied
compounds are among promising material for the fabrication of solar cells.
Keywords
: DFT, FP-LAPW, Y
x
Ga
1-x
N, optical materials.
Corresponding author
:
PS1 2
-158-
