Band edge corrections of semiconductor alloys for buffers nano-materials based solar cells
OUARAB Nouredine
Semiconductor Technology Research Center for Energetic-(CRTSE), 02, Bd Frantz Fanon Algiers, BP N° 140, Algeria
Nouredine OUARAB obtained his doctorate with honors and congratulations of the jury from Sétif University, Algeria. He is the Senior Research B Class at Development of Semiconductor Conversion Devices Division, Semiconductor Technology Research Center for Energetic, Algiers, Algeria. He has published more than 8 papers in reputed journals.
Abstract
Electronic and optical properties of FeS2-xAx alloys based on iron pyrite with (A=O, P, Cl and Se) are performed by using full potential linearized augmented plane wave method (FP-LAPW).Band gap energies have been calculated... [ view full abstract ]
Electronic and optical properties of FeS2-xAx alloys based on iron pyrite with (A=O, P, Cl and Se) are performed by using full potential linearized augmented plane wave method (FP-LAPW).Band gap energies have been calculated by using Tran Blaha modified Becke-Johnson (TB-mBJ) potentials in LDA approach [1]. The corrected positions related to valence band maximum (VBM) and conduction band minimum (CBM) have been evaluated by many-body perturbation theory in the GW approximation. The results given by using 3d eigen-energies performed from DFT+U are hopeful for GW quasi-particles approach to assess with great precision of the electron affinity and ionization potentials [2] of the studied alloys. The obtained values of internal physical parameters can help devices modeling to simulate the solar cell conversion efficiency [3]. Oxygen and phosphor alloyed FeS2 present p-type conductivity with variable electron affinities, which will be used as rear CZTS contact. The lattice parameters are further decreased with increase of O, P concentrations inducing that increase in band gap to 1.49 eV. However, chloride and selenium alloyed iron pyrite show n-type conductivity with important optical properties (absorption coefficients ~106 cm-1). The band gap of specified alloys can increase to 1.25 eV, which is hopeful for their possible insertions as buffer nano-materials based solar cells with CZTS.
References
[1] N. Ouarab et al, EU-PVSEC Proceedings N° 31 (2015) 131–135, DOI: 10.4229/EUPVSEC20152015-1BV.6.12.
[2] N. Ouarab, M. Boumaour, Current Applied Physics 17 (2017) 1169–1180.
[3] M. Boumaour, S. Sali, A. Bahfir, S. Kermadi, L. Zougar, N. Ouarab, A. Larabi, Journal of Electronic Materials 45 (2016) 422.
Authors
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OUARAB Nouredine
(Semiconductor Technology Research Center for Energetic-(CRTSE), 02, Bd Frantz Fanon Algiers, BP N° 140, Algeria)
Topic Areas
Optical properties of nanostructures , Photovoltaics and solar cells at nanoscale
Session
OS1b-1 » Nanophotonics, optics and plasmonics (16:40 - Wednesday, 18th October, Room 1)
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