Berlin 2018 – wissenschaftliches Programm

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HL: Fachverband Halbleiterphysik

HL 33: Poster Session III

HL 33.19: Poster

Mittwoch, 14. März 2018, 17:30–19:30, Poster F

A first-principles investigation of the cubic ternary AlxB1-xBi alloys for infrared optical devices — •BELABBAS Mawloud¹, arbouche omar², benallou yacine¹, and bentayeb abdelkader¹ — ¹Laboratory of Technology of Communications, Faculty of Technology, University of Saïda Dr Tahar Moulay, P. O. Box 20000, Saïda, Algeria — ²Laboratory of physico-chemistry of advanced materials, Faculty of Sciences, University of Djillali Liabes, P. O. Box 22000, Sidi Bel Abbes, Algeria

In this study, We propose the cubic AlxB1-xBi ternary alloy as a promosing infrared material. we used the full potential-linearized augmented plane wave (FP-LAPW) method within the Density Functional Theory (DFT) to predict the structural, electronic and optical properties of the AlxB1-xBi ternary alloys. The structural properties such as the equilibrium lattice parameter, bulk modulus and its pressure derivative are investigated with the effect of the concentration variation of Al atom, x (x=0, 0.25, 0.50, 0.75 and 1). We found that the equilibrium lattice parameter of AlxB1-xBi ternary alloys increases when increasing the doping concentration of the Al atom, while its bulk modulus decreases. The energy band gap of the AlxB1-xBi ternary alloys decreases with the increase in the Al doping concentration. Our results show the direct nature of the energy band gap of the ternary AlxB1-xBi alloy for all composition of Al substitution, Furthermore, investigation of the dielectric function and refractive index shows that our materials are active in infrared and visible energy regions.