First-principle study of the optoelectronic properties of GaxIn1-xBiyP1-y quaternary alloys lattice-matched to InP for telecommunication applications

IF 1.1 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Canadian Journal of Physics Pub Date : 2023-06-13 DOI:10.1139/cjp-2022-0331
Malika Tehami, M. Benchehima, Djili Ameur, H. Abid
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Abstract

In this work, we present a theoretical investigation of the structural and optoelectronic properties of GaxIn1-xBiyP1-y quaternary alloys lattice-matched to InP using the full-potential linearized augmented plane wave approach based on the functional theory of density. The local density approximation (LDA) and the generalized gradient approximation of Wu–Cohen (WC-GGA) have been used for calculating the structural properties of GaxIn1-xBiyP1-y quaternaries. The lattice matching condition and the range of ( x, y) concentrations for which the quaternary alloys are lattice-matched to InP substrate were determined. It is found that the calculated lattice constants of GaxIn1-xBiyP1-y for all selected concentrations ( x, y) are about 5.9 Å, which are in good agreement with the experimental value of the lattice constant of InP (5.869 Å). The electronic property calculations are executed via EV-GGA and TB-mBJ approximations. The calculated band structures show that GaxIn1-xBiyP1-y quaternaries have semiconductor character and exhibit a direct band gap, for all selected concentrations ( x, y). In addition, the optical properties were calculated and discussed in detail. And also, the optical band gaps of quaternaries were determined using Tauc's method. We observed that the GaxIn1-xBiyP1-y quaternaries cover the wavelength ranging from 0.911 to 2.456 µm while maintaining a lattice match to the InP substrate. The obtained results reveal that these quaternaries are suitable candidates for telecommunication applications.
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电信应用中与InP晶格匹配的GaxIn1-xBiyP1-y季元合金光电性能的第一性原理研究
在这项工作中,我们提出了基于密度泛函理论的全势线性化增广平面波方法对晶格匹配InP的GaxIn1-xBiyP1-y四元合金的结构和光电子性能的理论研究。采用局部密度近似(LDA)和Wu-Cohen广义梯度近似(WC-GGA)计算了GaxIn1-xBiyP1-y季系的结构性质。确定了晶格匹配条件和(x, y)浓度与InP基体晶格匹配的范围。在所有选择浓度(x, y)下,GaxIn1-xBiyP1-y的晶格常数计算值约为5.9 Å,与InP的晶格常数实验值(5.869 Å)吻合较好。电子性能计算通过EV-GGA和TB-mBJ近似执行。计算的能带结构表明,对于所有选择的浓度(x, y), GaxIn1-xBiyP1-y季元化合物具有半导体特性并表现出直接带隙。此外,还计算并详细讨论了光学性质。利用陶克方法测定了四元化合物的光学带隙。我们观察到,GaxIn1-xBiyP1-y四元化合物覆盖的波长范围从0.911到2.456µm,同时保持了与InP衬底的晶格匹配。结果表明,这些四元系是电信应用的合适候选者。
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来源期刊
Canadian Journal of Physics
Canadian Journal of Physics 物理-物理:综合
CiteScore
2.30
自引率
8.30%
发文量
65
审稿时长
1.7 months
期刊介绍: The Canadian Journal of Physics publishes research articles, rapid communications, and review articles that report significant advances in research in physics, including atomic and molecular physics; condensed matter; elementary particles and fields; nuclear physics; gases, fluid dynamics, and plasmas; electromagnetism and optics; mathematical physics; interdisciplinary, classical, and applied physics; relativity and cosmology; physics education research; statistical mechanics and thermodynamics; quantum physics and quantum computing; gravitation and string theory; biophysics; aeronomy and space physics; and astrophysics.
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