Structural, electronic, and optical properties of quaternary alloys Al0.50Ga0.50NxSb1-x : a first-principles study

Authors

  • M. Berber Laboratoire d’Instrumentation et Matériaux Avancés, Centre Universitaire Nour Bachir http://orcid.org/0000-0003-1285-3070
  • N. Bouzouira Centre Universitaire Nour Bachir El Bayadh, 32000 El Bayadh, Algérie
  • M. Mebrek Centre Universitaire Nour Bachir El Bayadh, 32000 El Bayadh, Algérie
  • A. Boudali Laboratory of Physico-chemical Studies, University of Saida, Algeria.
  • H. Abid Applied Materials Laboratory, Research Center, Sidi Bel Abbès Djillali Liabes University, 22000, Algeria
  • H. Moujri Renewable Energy Laboratory and dynamic systems, Faculté des Sciences Ain-Chock, Université Hassan II de Casablanca, Morocco

DOI:

https://doi.org/10.31349/RevMexFis.66.790

Keywords:

First-Principles Computation, GGA-PBEsol Approximation, TB-mBJ, Optical properties.

Abstract

In this study, we have employed the first-principle methods based on density functional theory to investigate the structural, electronic and optical properties of Al0.50Ga0.50NxSb1-x in zincblende structure. The exchange and correlation potential is described by the generalized gradient approximation of Perdew, Burke and Ernzerhof (GGA-PBEsol) coupled with TB-mBJ approaches. The studied structures shows that all structures are semiconductors and have a direct bandgap except Al0.50Ga0.50N0.25Sb0.75 which has a semi-metallic behavior. The optical properties such as refractive index, extinction coefficient and optical conductivity are discussed in detail. Our result shows these materials are considered as promising materials for optoelectronic applications in the visible and infrared region. To our knowledge this is the first time that a study has been done on this alloy and we would like it to serve as a reference for the next studies.

Author Biography

M. Berber, Laboratoire d’Instrumentation et Matériaux Avancés, Centre Universitaire Nour Bachir

Centre Universitaire Nour Bachir El Bayadh, 32000 El Bayadh, Algérie

References

M. Benchehima and H. Abid, Optik (Stuttg). 127 (2016) 6541.

Y. Chen, P. Zhu, L. Wu, X. Chen and P. Lu, Mod. Phys. Lett. B (2020) 2050111.

S. Das, A. S. Sharma, S. A. Gazi and S. Dhar, J. Cryst. Growth 535 (2020) 125532.

Y. Guan, G. Luo, D. Morgan, S. E. Babcock and T. F. Kuech, J. Phys. Chem. Solids 138 (2020) 109245.

H. Saidi and S. Ridene, Chem. Phys. Lett. 738 (2020) 136872.

Y. Guan, A. Rajeev, S. E. Babcock, L. J. Mawst and T. F. Kuech, J. Cryst. Growth (2020) 125611.

H. Xie, H. Lin, Q. Xu, H. Lu, Y. Sun, S. Hu and N. Dai, J. Cryst. Growth 534 (2020) 125464.

W. Kohn and L. J. Sham, Phys. Rev. 140 (1965) A1133.

P. Blaha, K. Schwarz, G. K. H. Madsen, D. Kvasnicka and J. Luitz, An Augment. Pl. wave+ local orbitals Progr. Calc. Cryst. Prop. .

K. Schwarz, P. Blaha and G. K. H. Madsen, Comput. Phys. Commun. 147 (2002) 71.

G. K. H. Madsen, P. Blaha, K. Schwarz, E. Sjöstedt and L. Nordström, Phys. Rev. B 64 (2001) 195134.

J. P. Perdew, K. Burke and M. Ernzerhof, Phys. Rev. Lett. 77 (1996) 3865.

F. Tran and P. Blaha, Phys. Rev. Lett. 102 (2009) 226401.

D. Koller, F. Tran and P. Blaha, Phys. Rev. B 83 (2011) 195134.

D. Koller, F. Tran and P. Blaha, Phys. Rev. B 85 (2012) 155109.

H. Jiang, J. Chem. Phys. 138 (2013) 134115.

S.-D. Guo and B.-G. Liu, EPL (Europhysics Lett. 93 (2011) 47006.

S. W. Fan, L. J. Ding, Z. L. Wang and K. L. Yao, Appl. Phys. Lett. 102 (2013) 22404.

B. G. Yalcin, Appl. Phys. A 122 (2016) 456.

S. Bagci and B. G. Yalcin, J. Phys. D. Appl. Phys. 48 (2015) 475304.

B. G. Yalcin, Phys. B Condens. Matter 462 (2015) 64.

F. Birch, Phys. Rev. 71 (1947) 809.

L. Vegard, J. Phys. 5 (1921) 393.

K. W. Wong and S. C. Lo, Phys. Lett. A 31 (1970) 260.

H. A. Donfack, Electronic and Optical Properties of Silicon-Germanium-Tin alloys, Arizona State University, (2011) .

R. de L. Kronig, Josa 12 (1926) 547.

H. A. Kramers, in Atti Cong. Intern. Fisica (Transactions of Volta Centenary Congress) Como, (1927) , vol. 2, pp. 545–557.

H. Ehrenreich and M. H. Cohen, Phys. Rev. 115 (1959) 786.

M. Dressel and G. Grüner, (2002) .

M. Fox, (2002) .

D. R. Penn, Phys. Rev. 128 (1962) 2093.

M. Hadjab, S. Berrah, H. Abid, M. I. Ziane, H. Bennacer and A. H. Reshak, Mater. Chem. Phys. 182 (2016) 182.

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Published

2020-11-05

How to Cite

[1]
M. Berber, N. Bouzouira, M. Mebrek, A. Boudali, H. Abid, and H. Moujri, “Structural, electronic, and optical properties of quaternary alloys Al0.50Ga0.50NxSb1-x : a first-principles study”, Rev. Mex. Fís., vol. 66, no. 6 Nov-Dec, pp. 790–796, Nov. 2020.

Issue

Vol. 66 No. 6 Nov-Dec (2020): Revista Mexicana de Física

Section

10 Material Sciences

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Copyright (c) 2020 Mohamed Berber, Nour eddine Bouzouira, Moued Mebrek, Abdelkader Boudali, Hamza Abid, Hayat Moujri

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