Exploring the effects of the positional configuration of a molecular complex on the electronic structure and optical response in a quantum ring

Abstract In this study, the energy spectrum, binding energy, and optical intersubband transitions of a molecular complex confined in a quantum ring defined by Gaussian-type potentials were theoretically investigated within the effective mass approximation. The energy states and corresponding wave functions were derived from the solution of the Schrödinger equation using a two-dimensional diagonalization method. The results show that the energy spectrum, binding energy, and intersubband optical transitions show significant sensitivity to the arrangement of the donor atoms and characteristic size parameters of the geometric confinement and repulsive core potential. In conclusion, the structural parameters of the quantum rings and the configuration of the donor atoms provide a new degree of freedom in the tuning of the electronic structure, the stability of Coulombic binding, and the optical response of a molecular complex confined in a quantum ring system.

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Publication Details

Journal
Physica Scripta
Published
2024-08-22
DOI
https://doi.org/10.1088/1402-4896/ad72a8
Primary Topic
Molecular Junctions and Nanostructures
Type
article
Field-Weighted Citation Impact
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article

Exploring the effects of the positional configuration of a molecular complex on the electronic structure and optical response in a quantum ring

S. Şakiroğlu, H. Sarı
Physica Scripta
Molecular Junctions and Nanostructures
article

Exploring the effects of the positional configuration of a molecular complex on the electronic structure and optical response in a quantum ring

S. Şakiroğlu, H. Sarı
article en

Abstract

Abstract In this study, the energy spectrum, binding energy, and optical intersubband transitions of a molecular complex confined in a quantum ring defined by Gaussian-type potentials were theoretically investigated within the effective mass approximation. The energy states and corresponding wave functions were derived from the solution of the Schrödinger equation using a two-dimensional diagonalization method. The results show that the energy spectrum, binding energy, and intersubband optical transitions show significant sensitivity to the arrangement of the donor atoms and characteristic size parameters of the geometric confinement and repulsive core potential. In conclusion, the structural parameters of the quantum rings and the configuration of the donor atoms provide a new degree of freedom in the tuning of the electronic structure, the stability of Coulombic binding, and the optical response of a molecular complex confined in a quantum ring system.

Physica ScriptaVol. 99(10)
Sivas Cumhuriyet Üniversitesi (TR), Dokuz Eylül University (TR)
Affordable and clean energy
Openalex Percentile: Top 89%
Molecular Junctions and Nanostructures
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