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Ab-initio calculations of bandgap tuning of In1-xGaxY (Y = N, P) alloys for optoelectronic applications |
| Muhammad Rashid1,†, Jamil M2, Mahmood Q3,4, Shahid M Ramay5,‡, Asif Mahmood A6, and Ghaithan H M5 |
1 Department of Physics, Ghazi University City Campus, Dera Ghazi Khan, 32200, Pakistan;
2 Department of Physics, COMSATS University Islamabad, Islamabad 44000, Pakistan;
3 Basic and Applied Scientific Research Center(BASRC), College of Science of Dammam, Imam Abdulrahman Bin Faisal University, P. O. Box 383, Dammam 31113, Saudi Arabia;
4 Department Physics, College of Science, Imam Abdulrahman Bin Faisal University, P. O. Box 1982, Dammam 31441, Saudi Arabia;
5 Physics and Astronomy Department, College of Science, King Saud University, Riyadh, Saudi Arabia;
6 Chemical Engineering Department, College of Engineering, King Saud University, Riyadh, Saudi Arabia |
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Abstract The Ⅲ-V alloys and doping to tune the bandgap for solar cells and other optoelectronic devices has remained a hot topic of research for the last few decades. In the present article, the bandgap tuning and its influence on optical properties of In1-xGaxN/P, where (x = 0.0, 0.25, 0.50, 0.75, and 1.0) alloys are comprehensively analyzed by density functional theory based on full-potential linearized augmented plane wave method (FP-LAPW) and modified Becke and Johnson potentials (TB-mBJ). The direct bandgaps turn from 0.7 eV to 3.44 eV, and 1.41 eV to 2.32 eV for In1-xGaxN/P alloys, which increases their potentials for optoelectronic devices. The optical properties are discussed such as dielectric constants, refraction, absorption, optical conductivity, and reflection. The light is polarized in the low energy region with minimum reflection. The absorption and optical conduction are maxima in the visible region, and they are shifted into the ultraviolet region by Ga doping. Moreover, static dielectric constant ε1(0) is in line with the bandgap from Penn's model.
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Received: 06 February 2021
Revised: 18 March 2021
Accepted manuscript online: 25 March 2021
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PACS:
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63.20.D-
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(Phonon states and bands, normal modes, and phonon dispersion)
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63.20.-e
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(Phonons in crystal lattices)
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71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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72.40.+w
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(Photoconduction and photovoltaic effects)
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Corresponding Authors:
Muhammad Rashid, Shahid M Ramay
E-mail: rapakistana@yahoo.com,mrashid@gudgk.edu.pk;schaudhry@ksu.edu.sa
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Cite this article:
Muhammad Rashid, Jamil M, Mahmood Q, Shahid M Ramay, Asif Mahmood A, and Ghaithan H M Ab-initio calculations of bandgap tuning of In1-xGaxY (Y = N, P) alloys for optoelectronic applications 2021 Chin. Phys. B 30 116301
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