Electronic and optical properties of MgTe quantum dots: size effect


  • Zouina Elbahi
  • Mohamed Zitouni
  • Ahmed Gueddim
  • Bachir Bentria




quantum dots, Optoelectronic properties, MgTe, quantum confinement


The size-dependent electronic and optical properties of magnesium telluride quantum dots are investigated using a pseudopotential scheme. The emphasis is focused on the effect of the size of the quantum dots on the undertaken properties. The quantum dot radius is considered to be varying in between 1 and 10 nm. It is found that the direct- and indirect band gaps as well as the electron and hole effective masses decrease non-linearly as the quantum dot radius is increased. However, the refractive index, the static- and high frequency dielectric as well as the transverse effective charge increase as the quantum dot size is augmented. The quantum confinement is found to play a major role for the studied physical quantities as long as the quantum dot radius remains less than 5 nm. This permits to tailor the electronic and optical properties of our material according to the desired application.


ADACHI, S. Properties of Semiconductor Alloys, Group-IV, III-V, and II-VI Semiconductors. J.Wiley and Sons, 2009. DOI: https://doi.org/10.1002/9780470744383

ELBAR, M.; SOULI, A.; BELADEL, A.; ALI, B.; BENHAIMOURA, A. Impact study of flexible alternating current transmission system on power flow and power loss in power systems using MATLAB and PSAT. SEES, v. 4, n. 1, p. 348–369, Dec. 2023. https://doi.org/10.54021/seesv4n1-021 DOI: https://doi.org/10.54021/seesv4n1-021

SCHMITT-RINK, S.; MILLER, D. A. B.; CHEMLA, D. S. Theory of the linear and nonlinear optical properties of semiconductor microcrystallites. Phys. Rev. B, v. 35, p. 8113-8125, 1987. https://doi.org/10.1103/physrevb.35.8113. DOI: https://doi.org/10.1103/PhysRevB.35.8113

BIMBERG, D.; GRUNDMANN, M.; LEDENTSOV, N. N. Quantum Dot Heterostructures. Eds. Wiley, New York, 1999.

MOHAMED, E.; AHMED ZOHAIR, D.; HAFAIFA, A.; NAAS, C.; IRATNI, A.; COLAK, I. Evaluation of Reliability Indices for Gas Turbines Based on the Johnson SB Distribution: Towards Practical Development. Emirates Journal for Engineering Research, v. 28, n. 2, Article 5, 2023. https://scholarworks.uaeu.ac.


MATTOUSSI, H.; RADZILOWSKI, L. H.; DABBOUSI, B. O.; FOGG, D. E.; SCHROCK, R. R.; THOMS, E. L.; RUBNER, M. F.; BAVENDI, M. G. Composite thin films of CdSe nanocrystals and a surface passivating/electron transporting block copolymer: Correlations between film microstructure by transmission electron microscopy and electroluminescence. J. Appl. Phys., v. 86, p. 4390-4399, 1999. https://doi.org/10.1063/1.371376 DOI: https://doi.org/10.1063/1.371376

ELBAR, M.; MERZOUK, I.; BEALDEL, A.; REZAOUI, M. M.; IRATNI, A.; HAFAIFA, A. Power Quality Enhancement in Four-Wire Systems Under Different Distributed Energy Resource Penetration. Electrotehnica, Electronica, Automatica (EEA), v. 69, n. 4, p. 50-58, 2021, ISSN 1582-5175. https://doi.org/10.46904/eea. DOI: https://doi.org/10.46904/eea.

VENEMA, L. Is rebranding research as 'nanoscience' just jumping on the bandwagon? Nature, v. 442, p. 994-995, 2006. https://doi.org/10.1038/442994a DOI: https://doi.org/10.1038/442994a

BRUS, L. Zero-dimensional "excitons" in semiconductor clusters. IEEE J. Quantum Electron, v. 22, p. 1909-1914. https://doi.org/10.1109/JQE. DOI: https://doi.org/10.1109/JQE.1986.1073184


GUEDDIM, A.; ELOUD, T.; MESSIKINE, N.; BOUARISSA, N. Energy levels and optical properties of GaN spherical quantum dots. Superlattices Microstruct, v. 77, p. 124-133, 2015. https://doi.org/10.1016/j.spmi.2014.11.003 DOI: https://doi.org/10.1016/j.spmi.2014.11.003

RAHOU, D.; BEKHOUCHE, H.; GHEZAL, E. A.; GUEDDIM, A.; BOUARISSA, N.; ZIANI, H. Electronic and optical properties of InSb quantum dots from pseudopotential calculation. Chinese Journal of Physics, v. 66, p. 206-213. https://doi.org/10.1016/j.cjph.2020.05.001 DOI: https://doi.org/10.1016/j.cjph.2020.05.001

BEKHOUCHE, H.; GUEDDIM, A.; BOUARISSA, N.; MESSIKINE, N. Phonon and Polaron properties in InSb spherical quantum dots. Chinese J. Physics, v. 65, p. 146-152, 2020. https://doi.org/10.1016/j.cjph.2020.02.017 DOI: https://doi.org/10.1016/j.cjph.2020.02.017

KENT, P. R. C.; BELLAICHE, L.; ZUNGER, A. Pseudopotential theory of dilute III–V nitrides, Semicond. Sci. Technol., v. 17, p. 851-859, 2002. https://doi.org/10. DOI: https://doi.org/10.1088/0268-1242/17/8/314


BEKHOUCHE, H.; RAHOU, D.; GUEDDIM, A.; ABDELHAFIDI, M. K.; BOUARISSA, N. Electron states, effective masses and transverse effective charge of InAs quantum dots. Optical and Quantum Electronics, v. 50, n. 8, 309 (1-8). 2018. https://doi.org/10.1007/s11082-018-1576-z DOI: https://doi.org/10.1007/s11082-018-1576-z

KOBAYASI, T.; NARA, H. Properties of non-local pseudopotentials of Si and Ge optimized under full interdependence among potential parameters. Bull. Coll. Med. Sci. Tohoku Univ., v. 2, p. 7-16, 1993.

GUEDDIM, A.; BOUARISSA, N. Electronic structure and optical properties of dilute InAs1-xNx: pseudopotential calculations. Phys. Scripta, v. 80, p. 015701 (1-7). 2009. https://doi.org/10.1088/0031-8949/80/01/015701 DOI: https://doi.org/10.1088/0031-8949/80/01/015701

GUEDDIM, A.; ZERDOUM, R.; BOUARISSA, N. Alloy composition and optoelectronic properties of dilute GaSb1-xNx by pseudo-potential calculations. Physica B, v. 389, p. 335-342, 2007. https://doi.org/10.1016/j.physb.2006.07.008 DOI: https://doi.org/10.1016/j.physb.2006.07.008

GUEDDIM, A.; ZERDOUM, R.; BOUARISSA, N. Dependence of electronic properties on nitrogen concentration in GaAs1-xNx dilute alloys. J. Phys. Chem. Solids, v. 67, p. 1618-1622, 2006. https://doi.org/10.1016/j.jpcs.2006.02.007 DOI: https://doi.org/10.1016/j.jpcs.2006.02.007

GUEDDIM, A.; ZERDOUM, R.; BOUARISSA, N. Effect of nitrogen concentration on mechanical properties of GaAs1-xNx dilute alloys. J. Materials Science and Engineering B, v. 131, p. 111-115, 2006. https://doi.org/10.1016/ DOI: https://doi.org/10.1016/j.mseb.2006.03.032

j.mseb.2006.03.032 DOI: https://doi.org/10.1088/1126-6708/2006/03/032

KAYANUMA, Y. Quantum-size effects of interacting electrons and holes in semiconductor microcrystals with spherical shape. Phys. Rev. B, v. 38, p. 97979805, 1988. https://doi.org/10.1103/PhysRevB.38.9797 DOI: https://doi.org/10.1103/PhysRevB.38.9797

RAGAN, H. Ph.D. Thesis, California Institute of Technology, Pasadena, California, 2002.

HAFAIEDH, A.; BOUARISSA, N. Quantum confinement effects on energy gaps and electron and hole effective masses of quantum well AlN. Physica E, v. 43, p. 1638-1641, 2011. https://doi.org/10.1016/j.physe.2011.05.013 DOI: https://doi.org/10.1016/j.physe.2011.05.013

EL WADIY, N. H. M.; BOUARISSA, N.; KHAN, M. A. Quantum confinement effects on the band structure and dielectric properties of nanostructured GaAs. Phys. Scr., v. 84, p. 015704 (1-5). 2011 https://doi.org/10.1088/0031-8949/84/01/ DOI: https://doi.org/10.1088/0031-8949/84/01/015704

ELOUD, T.; GUEDDIM, A.; BOUARISSA, N. Optoelectronic properties of nanosized GaAs. J. New Technology and Materials, v. 4, n. 1, p. 116-122, 2014. DOI: https://doi.org/10.12816/0010314

NAKWASKI, W. Effective masses of electrons and heavy holes in GaAs, InAs, A1As and their ternary compounds. Physica B, v. 210, p. 1-25 and references cited therein. 1995. https://doi.org/10.1016/0921-4526(94)00921-H DOI: https://doi.org/10.1016/0921-4526(94)00921-H

ADACHI, S. Band gaps and refractive indices of AlGaAsSb, GaInAsSb, and InPAsSb: Key properties for a variety of the 2-4 μm optoelectronic device applications. J. Appl. Phys., v. 61, p. 4869-4876, and references therein. 1987. https://doi.org/10.1063/1.338352 DOI: https://doi.org/10.1063/1.338352

GUEDDIM, A.; BOUARISSA, N.; NAAS, A.; DAOUDI, F.; MESSIKINE, N. Characteristics and optimization of ZnO/CdS/CZTS photovoltaic solar cell. Applied Physics A, v. 124, n. 2, p. 199 (1-7). 2018. https://doi.org/10.1007/s00339-018-1626-1 DOI: https://doi.org/10.1007/s00339-018-1626-1

HERVÉ, P.; VANDAMME, L. K. J. General relation between refractive index and energy gap in semiconductors. Infrared Phys. Technol., v. 35, p. 609-615, 1994. https://doi.org/10.1016/1350-4495(94)90026-4 DOI: https://doi.org/10.1016/1350-4495(94)90026-4

AL-HAGAN, O. A.; BOUARISSA, N.; GUEDDIM, A.; ALGARNI, H.; ALHUWAYMEL, T. F.; AJMAL KHAN, M. A. Conduction-and valence band offsets of Zn1-xMgxSe/Zn1-yMgySe heterointerfaces. Physica B: Condensed Matter 543 (2018) 54-59.https://doi.org/10.1016/j.physb.2018.05.019 DOI: https://doi.org/10.1016/j.physb.2018.05.019

GUEDDIM, A.; BOUARISSA, N. Theoretical investigation of the conduction and valence band offsets of GaAs1-xNx/GaAs1-yNy heterointerfaces. Appl.Surf.Sci., v. 253, p. 7336, 2007. https://doi.org/10.1016/j.apsusc.2007. DOI: https://doi.org/10.1016/j.apsusc.2007.03.019


SAMARA, G. A. Temperature and pressure dependences of the dielectric constants of semiconductors. Phys. Rev. B, v. 27, p. 3494-3505, 1983. https://doi.org/10.1103/PhysRevB.27.3494 DOI: https://doi.org/10.1103/PhysRevB.27.3494

DAVYDOV, S. Y.; TIKHONOV, S. K. Pressure dependence of the dielectric and optical properties of wide-gap semiconductors. Semiconductors, v. 32, p. 947-949, 1998. https://doi.org/10.1134/1.1187520 DOI: https://doi.org/10.1134/1.1187520

BOUARISSA, N.; BOUGOUFFA, S.; KAMLI, A. Energy gaps and optical phonon frequencies in InP1-xSbx. Semicond. Sci. Technol., v. 20, p. 265-270, 2005. https://doi.org/10.1088/0268-1242/20/3/002 DOI: https://doi.org/10.1088/0268-1242/20/3/002

VOGL, P. Dynamical effective charges in semiconductors: A pseudopotential approach. J. Phys. C: Solid State Phys., v. 11, 1978, p. 251-262. https://doi.org/10.1088/0022-3719/11/2/011 DOI: https://doi.org/10.1088/0022-3719/11/2/011

GUEDDIM, A.; ZERROUG, S.; BOUARISSA, N.; FAKROUN, N. Study of the elastic properties and wave velocities or rocksalt Mg1-xFexO: ab initio calculations. Chinese J. Phys., v. 55, n. 44, p. 1423-1431, 2017. https://doi.org/10. DOI: https://doi.org/10.1016/j.cjph.2017.04.009


DRISSI, N.; GUEDDIM, A.; BOUARISSA, N. First-principles study of rocksalt MgxZn1- xO: band structure and optical spectra. Phil. Mag., v. 100, n. 12, p. 1620-1635, 2020. https://doi.org/10.1080/14786435.2020.1727974 DOI: https://doi.org/10.1080/14786435.2020.1727974

ZERROUG, S.; GUEDDIM, A.; BOUARISSA, N. Composition dependence of fundamental properties of Cd1-xCoxTe magnetic semiconductor alloys. Journal of Computational Electronics, v. 15, n. 2, p. 473-478, 2016. https://doi.org/10. DOI: https://doi.org/10.1007/s10825-016-0802-9


GUEDDIM, A.; ZERROUG, S.; BOUARISSA, N. Composition dependence of the optical properties and band structure of the zinc-blende ZnS1-xOx: a first principles study. Philosophical Magazine, v. 95, n. 24, p. 2627-2638, 2015. https://doi.org/10.1080/14786435.2015.1073401 DOI: https://doi.org/10.1080/14786435.2015.1073401

ALGARNI, H.; GUEDDIM, A.; BOUARISSA, N.; AJMAL KHAN, M.; ZIANI, H. Crystal structure and electronic properties of wurtzite MgxZn1-xO: ab initio study, Results in Physics. https://doi.org/10.1016/j.rinp.2019.102694 DOI: https://doi.org/10.1016/j.rinp.2019.102694

BELLOUCHE, A.; GUEDDIM, A.; ZERROUG, S.; BOUARISSA, N. Elastic properties and optical spectra of ZnS1−xOx dilute semiconductor alloys. Optik - International Journal for Light and Electron Optics, v. 127, n. 23, p. 11374-11378, 2016. https://doi.org/10.1016/j.ijleo.2016.09.034 DOI: https://doi.org/10.1016/j.ijleo.2016.09.034

GUEDDIM, A.; MADJET, M. E.-A.; ZERROUG, S.; BOUARISSA, N. First-principles investigations of electronic properties and optical spectra of Cd1−xMnxTe dilute magnetic semiconductors. Optical and Quantum Electronics. 2016. https://doi.org/10.1007/s00289-017-2189-6 DOI: https://doi.org/10.1007/s11082-016-0818-1

GUEDDIM, A.; FAKROUN, N.; BOUARISSA, N.; VILLESUZANNE, A. A density functional study of structural and elastic properties of LaN under high pressure. Materials Chemistry and Physics, v. 118, p. 427-431, 2009. https://doi.org/10.1016/j.matchemphys.2009.08.012 DOI: https://doi.org/10.1016/j.matchemphys.2009.08.012

GUEDDIM, A.; BOUARISSA, N.; VILLESUZANNE, A. Pressure dependence of elastic constants and related parameters for rocksalt MgO. Comput. Mater. Sci., v. 48, p. 490-494, 2010. https://doi.org/10.1016/j.commatsci.2010.02.010 DOI: https://doi.org/10.1016/j.commatsci.2010.02.010




How to Cite

Elbahi, Z., Zitouni, M., Gueddim, A., & Bentria, B. (2024). Electronic and optical properties of MgTe quantum dots: size effect. STUDIES IN ENGINEERING AND EXACT SCIENCES, 5(1), 1675–1689. https://doi.org/10.54021/seesv5n1-085