Dependence on Mn concentration and position on the electronic, optical and magnetic properties of CdTe/CdS core/shell nanocrystals: empirical tight-binding theory

• Published in: Journal of computational electronics Vol. 24; no. 4; p. 106
• Main Author: Sukkabot, Worasak
• Format: Journal Article
• Language: English
• Published: New York Springer US 01.08.2025; Springer Nature B.V
• Subjects: Approximation; Binding; Cadmium sulfide; Cadmium tellurides; Core-shell particles; Doppler effect; Electrical Engineering; Electrons; Engineering; Lifetime; Magnetic properties; Mathematical and Computational Engineering; Mathematical and Computational Physics; Mechanical Engineering; Metals; Nanocrystals; Nanoparticles; Optical and Electronic Materials; Optical properties; Physical properties; Red shift; Spectra; Splitting; Theoretical; Magnetic property; Magnetic ions; Core/shell nanocrystal; Optical property; Empirical tight-binding model
• ISSN: 1569-8025; 1572-8137
• DOI: 10.1007/s10825-025-02342-1

The electronic, optical and magnetic properties of CdTe/CdS core/shell nanocrystals with different Mn-doped positions and concentrations are carried out by the empirical tight-binding model with the consideration of sp – d exchange interaction. Substitution of Mn ions into CdTe/CdS core/shell nanocrystal via desired sites and concentrations provides a way to manipulate the sp – d exchange interaction. With the growing Mn concentrations, the splitting energies and g-factor values are linearly increased. The splitting energies and g-factor values of CdTe:Mn/CdS core/shell nanoparticles are higher than those of CdTe/CdS:Mn core/shell nanoparticles. In the presence of Mn dopants, the optical spectra are divided into four components corresponding to the recombination paths. The increasing Mn concentrations display a progressive red-shift spectra. The introduction of Mn ions improves the optical property, thanks to oscillation strengths and radiative lifetimes. Overall, it is expected that this understanding of core/shell nanocrystals doped with magnetic ions can be utilized for spin-related applications.