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Optical and Quantum Electronics
Erschienen in: Optical and Quantum Electronics 14/2023

01.12.2023

Effect of Cu-doping on the optical properties of quantum dot materials in group II-VI using density functional theory approach

verfasst von: Hussein Ghafel AL-Toki, Ramzi Maalej, Boshra Ghanbari Shohany

Erschienen in: Optical and Quantum Electronics | Ausgabe 14/2023

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Abstract

In this research, structural, electronic and optical properties of ANBN quantum dots (QD) with N = 2,3,4 in the absence and presence of Cu impurity atom have been investigated based on density functional theory and using Siesta computational code. Local density approximation (LDA) is used for exchange–correlation functional. The band structure shows that ANBN QD structures have a semiconductor behavior. By adding Cu atom, a cross band with the Fermi level can be seen in the band structure, therefore, ANBN QD structures show semi-metallic behavior in the presence of Cu atom. The study of the optical properties of ANBN quantum dots and the calculation of their dielectric function, absorption coefficients and refractive index have been realized. Examining the optical results confirms that the transition threshold energy of quantum dots corresponds to their band gap value.
Vorheriger Artikel A high power and repetition rate wavelength tunable actively mode-locked Holmium-doped fiber laser for bidirectional transmission between two HAPS
Nächster Artikel Electromagnetically induced transparency based on metal-graphene hybrid metamaterials

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Literatur
Ahmad, W., Pan, L., Khan, K., Jia, L., Zhuang, Q., Wang, Zh.: Progress and Insight of Van der Waals Heterostructures Containing Interlayer Transition for Near Infrared Photodetectors. Adv. Func. Mater. 23, 202300686 (2023)
Bosio A.: Handbook of II-VI Semiconductor-Based Sensors and Radiation Detectors. Springer (2023).
Cherni, A., Yahyaoui, N., Zeiri, N., Said, M., Saadaoui, S.: Simultaneous effect of the capped matrix and the geometric factors of CdS/ZnSe spheroidal quantum dots on the linear and nonlinear optical properties. Opt. Quant. Electron. 55, 273 (2023)CrossRef
Czajkowski, M., Bobkowski, R., Krause, L.: transitions in Zn2 excited in crossed molecular and laser. Phys. Rev. A 41, 277 (1990)ADSCrossRef
Density functional theory calculations of small ZnmSn clusters: Katırcıog˘lu S., Erkoc S. J. Mol. Struct. (theochem.) 546, 99–106 (2001)
Dhanabalan, S.C., Dhanabalan, B., Ponraj, J.S., Bao, Q., Zhang, H.: 2D–materials-based quantum dots: gateway towards next-generation optical devices. Adv Opt Mater 5, 1700257 (2017)CrossRef
Dong, C., Li, X., Qi, J.: Probing the electronic and optical properties of silica-coated quantum dots with first-principles calculations. Phys. Chem. Chem. Phys. 13, 14476 (2011)CrossRef
Erkoç, S.: A new class of empirical many-body potential energy functions for bulk and cluster properties. Phys. Stat. Sol. B 171, 317–324 (1992)ADSCrossRef
Erkoc, S.: Structural and electronic properties of ZnmCdn microclusters: density functional theory calculations. Chem. Phys. Lett. 369, 605–609 (2003)ADSCrossRef
Flad, H.J., Schautz, F., Wang, Y., Dolg, M., Savin, A.: On the bonding of small group 12 clusters. Eur. Phys. J. D 6, 243–254 (1999)ADSCrossRef
Gill, R., Zayats, M., Willner, I.: Semiconductor quantum dots for bioanalysis. Angew. Chem. 47, 7602 (2008)CrossRef
Hussain, S., Guo, L., He, T.: Hybrid Density Functional Theory Study on Structural and Optoelectronic Properties of ZnSe1–xTex for the Photocatalytic Applications. J. Phys. Chem. C 125, 16235 (2021)CrossRef
Imran, M., Saif, M.J., Kuznetsov, A.E., Idrees, N., Iqbal, J., Tahir, A.A.: Computational investigations into the structural and electronic properties of Cd n Te n (n= 1–17) quantum dots. RSC Adv. 9, 5091 (2019)ADSCrossRef
Iokibe, K., Tachikawa, H., Azumi, K.: A DFT study on the structures and electronic states of zinc cluster Znn (n= 2–32). J. Phys. b: at. Mol. Opt. Phys. 40, 427 (2007)ADSCrossRef
Li, W., Shen, L.F., Zhao, X., Pun, E.Y.B., Lin, H.: Size-controlled fluorescence of long-term durable CsPbBr3 perovskite quantum dots in tungsten tellurite glasses. J. Lumin. 258, 119807 (2023)CrossRef
Michaelian K., Beltra´n M.R., Garzo´n I.L.: Disordered global-minima structures for Zn and Cd nanoclusters. Phys. Rev. B 65, 041403 (2002).
Molaei, M.J.: A review on nanostructured carbon quantum dots and their applications in biotechnology, sensors, and chemiluminescence. Talanta 196, 456–478 (2019)CrossRef
Peko¨z R., Erkoc S.: Density functional theory study on the structural properties and energetics of ZnmTen microclusters. Physica E 40, 2921 (2008).
Peköz, R., Erkoç, S.: A density functional theory study on the structures and energetics of CdmTen clusters. Comput. Mater. Sci. 45, 912 (2009)CrossRef
Perdew, J.P., Burke, K., Ernzerhof, M.: Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865 (1996)ADSCrossRef
Singh, S., Dhawan, A., Karhana, S., Bhat, M., Dinda, A.K.: Quantum dots: an emerging tool for point-of-care testing. Micromachines 11, 1058 (2020)CrossRef
Soler, J.M., Artacho, E., Gale, J.D., García, A., Junquera, J., Ordejón, P.: he SIESTA method for ab initio order-N materials simulation. J. Phys. Cond. Matt. 14, 2745 (2002)ADSCrossRef
Stiles, P.L., Miller, R.E.: High-Resolution Infrared Spectroscopy of HCN−Znn (n = 1–4) Clusters: Structure Determination and Comparisons with Theory. J. Phys. Chem. A 110, 5620 (2006)CrossRef
Strojecki, M., Ruszczak, M., Łukomski, M., Koperski, J.: Is Cd2 truly a van der Waals molecule? Analysis of rotational profiles recorded at the A0u+, B1←X0g+ transitions. Chem. Phys. 340, 171–180 (2007)CrossRef
Troparevsky, M.C., Chelikowsky, J.R.: Structural and electronic properties of CdS and CdSe clusters. J. Chem. Phys. 114, 943 (2001)ADSCrossRef
Wang, J., Wang, G., Zhao, J.: Nonmetal-metal transition in Znn (n=2-20) clusters. Phys. Rev. A 68, 013201 (2003)ADSCrossRef
Wang, C., Xu, S., Ye, L., Lei, W., Cui, Y.: Investigation of ZnmCdnXy (y = m + n; X = Te, Se and S) Clusters with TDDFT method. J. Clust. Sci. 22, 49 (2011)ADSCrossRef
Weldetsadik, M., Woldeghebriel, H., Ethiopian, M.: A DFT study on the structural and electronic properties of cadmium telluride (CdnTen) and cadmium Zinc telluride (Cd (n− m) ZnmTen) clusters. Journal of Science 7, 105 (2015)
Xu, S., Wang, C., Cui, Y.: Theoretical simulation of CdTe nanocrystals in aqueous synthesis. Struct. Chem. 21, 519 (2010)CrossRef
Yahyaoui, N., Jbeli, A., Zeiri, N., Saadaoui, S., Said, M.: Simultaneous effect study of eccentricity and capping matrix on effective dielectric function in spheroidal CdSe/ZnSe core/shell quantum dot. Micro Nanostruct 168, 207332 (2022)CrossRef
Yonezawa, F., Tanikawa, H.: Density-functional molecular dynamics study of Cd microclusters: stability and non-metal-metal transition. J. Non-Cryst. Solids 205, 793–796 (1996)ADSCrossRef
Yu, M., Dolg, M.: Covalent contributions to bonding in group 12 dimers M2 (Mn = Zn, Cd, Hg). Chem. Phys. Lett. 273, 329–336 (1997)ADSCrossRef
Zhang J., Feng P., Bu X., Wu T.: Atomically precise metal chalcogenide super tetrahedral clusters: frameworks to molecules, and structure to function. National Science Review 9, nwab076 (2022).
Zhang Q., Kang Z., Zhang Y.: Van der Waals Heterostructures: fabrications, properties, and applications. Wiley (2023).
Zhao, J., Chen, X., Wang, G.: Size Dependence of the Ionization Potentials of Cd Clusters. Europhys. Lett. 28, 311 (1994)ADSCrossRef
Zhou, J., Liu, Y., Tang, J., Tang, W.: Surface ligands engineering of semiconductor quantum dots for chemosensory and biological applications. Mater. Today 20, 360–376 (2017)CrossRef
Metadaten
Titel
Effect of Cu-doping on the optical properties of quantum dot materials in group II-VI using density functional theory approach
verfasst von
Hussein Ghafel AL-Toki
Ramzi Maalej
Boshra Ghanbari Shohany
Publikationsdatum
01.12.2023
Verlag
Springer US
Erschienen in
Optical and Quantum Electronics / Ausgabe 14/2023
Print ISSN: 0306-8919
Elektronische ISSN: 1572-817X
DOI
https://doi.org/10.1007/s11082-023-05292-9

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