Authors : Pritam Kumar Priyadarshi; Annapurna Bharti; Raj Kumar Maurya

Volume/Issue : Volume 11 - 2026, Issue 9 - September

Google Scholar : https://tinyurl.com/2bf4fm5j

DOI : https://doi.org/10.38124/ijisrt/26sep809

Note : A published paper may take 4-5 working days from the publication date to appear in PlumX Metrics, Semantic Scholar, and ResearchGate.

Abstract : In this study, the size- and shape-dependent variation of the energy band gap in III–V nanosemiconductors has been systematically investigated using three widely accepted phenomenological approaches, namely the Qi model, Bond Energy model, and Guisbiers model. The theoretical analysis has been performed for important III–V semiconductor compounds such as AlN, GaN, InN, GaAs, and InAs, considering different nanostructured geometries including spherical nanoparticles, cylindrical nanowires, and nanofilms. The band gap expansion (ΔEg) has been evaluated as a function of particle size (diameter or width) as well as structural geometry. The obtained results clearly indicate that the energy band gap increases significantly with decreasing size of the nanostructures, which is mainly attributed to the quantum confinement effect arising from the spatial restriction of charge carriers at the nanoscale. It has also been observed that the geometry of the nanostructure plays an important role in determining the magnitude of band gap enhancement due to differences in surface-to-volume ratio. Among the models considered, the Guisbiers model provides the closest agreement with the available simulated and experimental data, demonstrating its superior predictive capability. Furthermore, the study examines the shifts in valence band and conduction band edges, revealing that the conduction band experiences a comparatively larger shift than the valence band. These findings offer a deeper understanding of size- and shape-controlled band gap engineering in nanostructured semiconductors and may be highly useful for the design and optimization of advanced optoelectronic, nanoelectronic, and photonic devices.

Keywords : Nanosemiconductors, Band Gap Expansion, Quantum Confinement, Guisbiers Model, Bond Energy Model, III–V Compounds.

References :

1. Brus, L. E. (1984). Electron–electron and electron-hole interactions in small semiconductor crystallites: The size dependence of the lowest excited electronic state. The Journal of Chemical Physics, 80(9), 4403–4409. https://doi.org/10.1063/1.447218
2. Brus, L. E. (1986). Electronic wave functions in semiconductor clusters: Experiment and theory. The Journal of Physical Chemistry, 90(12), 2555–2560. https://doi.org/10.1021/j100403a003
3. Efros, A. L., and Efros, A. L. (1982). Interband absorption of light in a semiconductor sphere. Soviet Physics Semiconductors, 16, 772–775.
4. Kayanuma, Y. (1988). Quantum-size effects of interacting electrons and holes in semiconductor microcrystals with spherical shape. Physical Review B, 38(14), 9797–9805. https://doi.org/10.1103/PhysRevB.38.9797
5. Alivisatos, A. P. (1996). Perspectives on the physical chemistry of semiconductor nanocrystals. The Journal of Physical Chemistry, 100(31), 13226–13239. https://doi.org/10.1021/jp9535506
6. Guisbiers, G., and Buchaillot, L. (2008). Size and shape effects on creep and diffusion at the nanoscale. Nanotechnology, 19(43), 435701. https://doi.org/10.1088/0957-4484/19/43/435701
7. Guisbiers, G. (2010). Size-dependent materials properties toward a universal equation. Nanoscale Research Letters, 5, 1132–1136. https://doi.org/10.1007/s11671-010-9614-1
8. Qi, W. H., and Wang, M. P. (2004). Size and shape dependent melting temperature of metallic nanoparticles. Materials Chemistry and Physics, 88(2–3), 280–284. https://doi.org/10.1016/j.matchemphys.2004.04.026
9. Qi, W. H., and Wang, M. P. (2002). Size effect on the cohesive energy of nanoparticle. Journal of Materials Science Letters, 21(22), 1743–1745. https://doi.org/10.1023/A:1020904317133
10. Sun, C. Q., Wang, Y., Tay, B. K., Li, S., Huang, H., and Zhang, Y. B. (2002). Correlation between the melting point of a nanosolid and the cohesive energy of a surface atom. The Journal of Physical Chemistry B, 106(41), 10701–10705. https://doi.org/10.1021/jp025868l
11. Sun, C. Q. (2007). Size dependence of nanostructures: Impact of bond order deficiency. Progress in Solid State Chemistry, 35(1), 1–159. https://doi.org/10.1016/j.progsolidstchem.2006.03.001
12. Harrison, P. (2005). Quantum wells, wires and dots: Theoretical and computational physics of semiconductor nanostructures (2nd ed.). Wiley. https://doi.org/10.1002/0470010827
13. Singh, J. (2003). Electronic and optoelectronic properties of semiconductor structures. Cambridge University Press.
14. Sze, S. M., and Ng, K. K. (2007). Physics of semiconductor devices (3rd ed.). Wiley. https://doi.org/10.1002/0470068329
15. Yu, P. Y., and Cardona, M. (2010). Fundamentals of semiconductors: Physics and materials properties (4th ed.). Springer. https://doi.org/10.1007/978-3-642-00710-1
16. Jain, S. C., Willander, M., Narayan, J., and Van Overstraeten, R. (2000). III–nitrides: Growth, characterization, and properties. Journal of Applied Physics, 87(3), 965–1006. https://doi.org/10.1063/1.371971
17. Vurgaftman, I., Meyer, J. R., and Ram-Mohan, L. R. (2001). Band parameters for III–V compound semiconductors and their alloys. Journal of Applied Physics, 89(11), 5815–5875. https://doi.org/10.1063/1.1368156
18. Madelung, O. (2004). Semiconductors: Data handbook (3rd ed.). Springer.
19. Kittel, C. (2005). Introduction to solid state physics (8th ed.). Wiley.