First-principles calculations to investigate optoelectronic properties and pressure effect on thermodynamic parameters of the quaternary alloys Ga₁₋xSb₁₋yTlxBiy
Bibliographic record
Abstract
No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.
Source: Not provided · Quality: missing
Research context
OpenAlex topics: Heusler alloys: electronic and magnetic properties · High-pressure geophysics and materials · Boron and Carbon Nanomaterials Research
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (34)
Show source-provided references
1. G.L.W. Hart, A. Zunger, Electronic structure of BAs and boride III-V alloys. Phys. Rev. B 62, 13522–13537 (2000). https://doi.org/10.1103/PhysRevB.62.1352210.1103/PhysRevB.62.13522 ↗
2. C. Pashartis, O. Rubel, Localization of electronic states in III-V semiconductor alloys: a comparative study. Phys. Rev. Appl. 7, 064011 (2017). https://doi.org/10.1103/PhysRevApplied.7.06401110.1103/PhysRevApplied.7.064011 ↗
3. L. Chen, L. Pedesseau, Y. Léger, N. Bertru, J. Even, C. Cornet, Antiphase boundaries in III-V semiconductors: atomic configurations, band structures, and Fermi levels. Phys. Rev. B 106, 165310 (2022). https://doi.org/10.1103/PhysRevB.106.16531010.1103/PhysRevB.106.165310 ↗
4. K. Nozawa, T. Ishiyama, Y. Kiyono, K. Yabuki, T. Suemasu, K. Toko, High-rate capability of III–V anodes enabled by machine-learning-guided compositional design. J. Energy Storage 154, 121199 (2026). https://doi.org/10.1016/j.est.2026.12119910.1016/j.est.2026.121199 ↗
5. M.J. Jou, Y.T. Cherng, H.R. Jen, G.B. Stringfellow, OMVPE growth of the new semiconductor alloys GaP1−xSbx and InP1−xSbx. J. Cryst. Growth 93, 62–69 (1988). https://doi.org/10.1016/0022-0248(88)90507-610.1016/0022-0248(88)90507-6 ↗
6. R. Navamathavan, D. Arivuoli, G. Attolini, C. Pelosi, C.K. Choi, Mechanical properties of some binary, ternary and quaternary III–V compound semiconductor alloys. Physica B 392, 51–57 (2007). https://doi.org/10.1016/j.physb.2006.10.03210.1016/j.physb.2006.10.032 ↗
7. G. Benabdellah, K. Benkabou, Structural, elastic, and optoelectronic properties of ternary alloy BxAl1–xAs. Phys. B Condens. Matter 544, 52–60 (2018). https://doi.org/10.1016/j.physb.2018.05.00710.1016/j.physb.2018.05.007 ↗
8. R. Moussa, A. Abdiche, R. Khenata, S. Bin Omran, First principle study of the structural, electronic, optical and thermodynamic properties of the cubic Al1−x Bx As ternary alloys. Mater. Res. Express 6, 105902 (2019). https://doi.org/10.1088/2053-1591/ab355510.1088/2053-1591/ab3555 ↗
9. S. Chebouki, O. Nemiri, F. Oumelaz, B. Djamel, A. Boumaza, H. Meradji, S. Ghemid, R. Benredouane, A. Dutta, M. Jeridi, H. Albalawi, From phase transitions to photonics performance: first-principles exploration of InXAl1−XP (x = 0.0 0.25, 0.5, 0.75 and 1) ternary alloys for next-generation optoelectronics. Polyhedron 275, 117514 (2025). https://doi.org/10.1016/j.poly.2025.11751410.1016/j.poly.2025.117514 ↗
10. L. Sirleto, G. Coppola, M. Iodice, M. Casalino, M. Gioffrè, I. Rendina, Thermo-optical switches, in Opt. Switch. (Elsevier, 2010), pp.61–96. https://doi.org/10.1533/9780857090416.6110.1533/9780857090416.61 ↗
11. H.A. Nilsson, M.T. Deng, P. Caroff, C. Thelander, L. Samuelson, L.-E. Wernersson, H.Q. Xu, InSb nanowire field-effect transistors and quantum-dot devices. IEEE J. Sel. Top. Quantum Electron. 17, 907–914 (2011). https://doi.org/10.1109/JSTQE.2010.209013510.1109/JSTQE.2010.2090135 ↗
12. C.-Z. Zhao, H.-Y. Ren, T. Wei, S.-S. Wang, J. Wang, A model for the energy band gap of GaSbxAs1-x and InSbxAs1-x in the whole composition range. J. Phys. Chem. Solids 115, 322–325 (2018). https://doi.org/10.1016/j.jpcs.2018.01.00410.1016/j.jpcs.2018.01.004 ↗
13. E. Vadiee, Y. Fang, C. Zhang, A.M. Fischer, J.J. Williams, E.J. Renteria, G. Balakrishnan, C.B. Honsberg, Temperature dependence of GaSb and AlGaSb solar cells. Curr. Appl. Phys. 18, 752–761 (2018). https://doi.org/10.1016/j.cap.2018.03.00710.1016/j.cap.2018.03.007 ↗
14. X. Tao, P. Jund, R. Viennois, J.-C. Tédenac, Physical properties of thallium-tellurium based thermoelectric compounds using first-principles simulations. J. Phys. Chem. A 115, 8761–8766 (2011). https://doi.org/10.1021/jp204592e10.1021/jp204592e ↗
15. H. Asahi, Temperature-insensitive band-gap III-V semiconductors: Tl-III-V and III-V-Bi, in Springer Handb. Electron. Photonic Mater. ed. by S. Kasap, P. Capper (Springer International Publishing, Cham, 2017), pp.1–1. https://doi.org/10.1007/978-3-319-48933-9_2310.1007/978-3-319-48933-9_23 ↗
16. Y. Zhang, A. Mascarenhas, L.-W. Wang, Similar and dissimilar aspects of III − V semiconductors containing Bi versus N. Phys. Rev. B 71, 155201 (2005). https://doi.org/10.1103/PhysRevB.71.15520110.1103/PhysRevB.71.155201 ↗
17. A. Saboor, S. Khalid, A. Janotti, Band-gap reduction and band alignments of dilute bismide III–jehe hV alloys. Phys. Rev. Mater. 10, 014603 (2026). https://doi.org/10.1103/y4bm-k9y410.1103/y4bm-k9y4 ↗
18. V. Braza, D. Fernández, T. Ben, S. Flores, N.J. Bailey, M. Carr, R. Richards, D. Gonzalez, Exploring the implementation of GaAsBi alloys as strain-reducing layers in InAs/GaAs quantum dots. Nanomaterials 14, 375 (2024). https://doi.org/10.3390/nano1404037510.3390/nano14040375 ↗
19. K. Forghani, A. Anand, L.J. Mawst, T.F. Kuech, Low temperature growth of GaAs1−yBiy epitaxial layers. J. Cryst. Growth 380, 23–27 (2013). https://doi.org/10.1016/j.jcrysgro.2013.05.03310.1016/j.jcrysgro.2013.05.033 ↗
20. M.K. Rajpalke, W.M. Linhart, M. Birkett, K.M. Yu, J. Alaria, J. Kopaczek, R. Kudrawiec, T.S. Jones, M.J. Ashwin, T.D. Veal, High Bi content GaSbBi alloys. J. Appl. Phys. 116, 043511 (2014). https://doi.org/10.1063/1.489121710.1063/1.4891217 ↗
21. J.C. Ondry, A. Gupta, Z. Zhou, J.H. Chang, D.V. Talapin, Synthesis of ternary and quaternary group III-arsenide colloidal quantum dots via high-temperature cation exchange in molten salts: the importance of molten salt speciation. ACS Nano 18, 858–873 (2024). https://doi.org/10.1021/acsnano.3c0949010.1021/acsnano.3c09490 ↗
22. Y. Yan, Q. Wang, W. Shu, Z. Jia, X. Ren, X. Zhang, Y. Huang, First-principle study of the electronic and optical properties of BInGaAs quaternary alloy lattice-matched to GaAs. Phys. B Condens. Matter 407, 4570–4573 (2012). https://doi.org/10.1016/j.physb.2012.08.02110.1016/j.physb.2012.08.021 ↗
23. P. Blaha, WIEN 2 k : an augmented plane wave plus local orbital package for the electronic structure of solids. 2021;pp. 836–842. https://doi.org/10.1107/S1574870720003171.10.1107/S1574870720003171 ↗
24. J.F. Lutsko, C. Schoonen, Classical density-functional theory applied to the solid state. Phys. Rev. E 102, 062136 (2020). https://doi.org/10.1103/PhysRevE.102.06213610.1103/PhysRevE.102.062136 ↗
25. K. Schwarz, DFT calculations of solids with LAPW and WIEN2k. J. Solid State Chem. 176, 319–328 (2003). https://doi.org/10.1016/S0022-4596(03)00213-510.1016/S0022-4596(03)00213-5 ↗
26. P. Blaha, K. Schwarz, P. Sorantin, S.B. Trickey, Full-potential, linearized augmented plane wave programs for crystalline systems. Comput. Phys. Commun. 59, 399–415 (1990). https://doi.org/10.1016/0010-4655(90)90187-610.1016/0010-4655(90)90187-6 ↗
27. J.P. Perdew, K. Burke, M. Ernzerhof, Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996). https://doi.org/10.1103/PhysRevLett.77.386510.1103/PhysRevLett.77.3865 ↗
28. D. Koller, F. Tran, P. Blaha, Improving the modified Becke-Johnson exchange potential. Phys. Rev. B 85, 155109 (2012). https://doi.org/10.1103/PhysRevB.85.15510910.1103/PhysRevB.85.155109 ↗
29. M.A. Blanco, E. Francisco, V. Luaña, GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model. Comput. Phys. Commun. 158, 57–72 (2004). https://doi.org/10.1016/j.comphy.2003.12.00110.1016/j.comphy.2003.12.001 ↗
30. F.D. Murnaghan, The compressibility of media under extreme pressures. Proc. Natl. Acad. Sci. U. S. A. 30, 244–247 (1944). https://doi.org/10.1073/pnas.30.9.24410.1073/pnas.30.9.244 ↗
31. M. Briki, M. Abdelouhab, A. Zaoui, M. Ferhat, Relativistic effects on the structural and transport properties of III–V compounds: a first-principles study. Superlattices Microstruct. 45, 80–90 (2009)10.1016/j.spmi.2008.12.022 ↗
32. C. Ambrosch-Draxl, J.O. Sofo, Linear optical properties of solids within the full-potential linearized augmented planewave method. Comput. Phys. Commun. 175, 1–14 (2006). https://doi.org/10.1016/j.cpc.2006.03.00510.1016/j.cpc.2006.03.005 ↗
33. D.R. Penn, Wave-number-dependent dielectric function of semiconductors. Phys. Rev. 128, 2093–2097 (1962). https://doi.org/10.1103/PhysRev.128.209310.1103/PhysRev.128.2093 ↗
34. M. Khelil, A. Abdiche, A. Ammari, B. Abbar, M. Guemou, R. Moussa, Bismides ternary alloys GaSb1−xBix: structural, optoelectronic, and thermodynamic properties under pressure. J. Mater. Res. 37, 1877–1891 (2022). https://doi.org/10.1557/s43578-022-00599-x10.1557/s43578-022-00599-x ↗