"Физика и техника полупроводников"
Вышедшие номера
First-Principles Investigation of Electronic Properties of GaAsxSb1-xTernary Alloys
Полная версия: 10.1134/S1063782619160267
Singh A.K.1, Chandra Devesh1, Kattayat Sandhya2, Kumar Shalendra3, Alvi P.A.4, Rathi Amit1
1School of Electrical, Electronics and Communication Engineering, Manipal University Jaipur, Rajasthan, India
2Higher Colleges of Technology, Abu Dhabi, UAE
3Electronic Materials & Nanomagnetism Lab, Department of Applied Physics, Amity School of Applied Sciences, Amity University Haryana, Gurgaon,, India
4Department of Physics, Banasthali Vidyapith, Banasthal, Rajasthan,India
Email: drpaalvi@gmail.com
Выставление онлайн: 19 ноября 2019 г.

Compositional variations in GaAs based ternary alloys have exhibited wide range alterations in electronic properties. In the present paper, first-principles study of GaAsxSb1-x ternary alloys have been presented and discussed. Density functional theory (DFT) computation based on the full-potential (linearized) augmented plane-wave (FP-LAPW) method has been utilized to calculate the Density of States (DOS) and the band structure of ternary alloys GaAsxSb1-x (x=0, 0.25, 0.50, 0.75, 1).The calculations were performed using the exchange-correlation energy functional from Perdew, Burke, and Ernzerhof, a generalized-gradient approximation (GGA-PBE) and Becke-Johnson exchange potential with local-density approximation (BJLDA) available within the framework of WIEN2k code. As compared to PBE, the results obtained from BJLDA are in close agreement with other experimental works. The DOS results show a reduction in bandgap as the Sb fraction is increased in GaAsxSb1-x ternary alloys. The bandgap obtained by PBE and BJLDA are found to deviate from Vegard's law, i. e., it doesn't vary linearly with composition. However, the bandgap obtained by BJLD is found to closely match Vegard's law when the bowing parameter is considered. Keywords: GaAsSb, ternary, DOS, LAPW, PBE, Becke-Johnson potential.

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