Theoretical investigation of quantum confinement on the Rashba effect in ZnO semiconductor nanocrystals

Semiconducting nanocrystals have been the subject of intense research due to the ability to modulate the electronic and magnetic properties by controlling the size of the crystal, introducing dopants, and surface modification. While relatively simple models such as a particle in a sphere can work we...

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Bibliographic Details
Published in:The Journal of chemical physics 2020-01, Vol.152 (1), p.014308-014308
Main Authors: Kasper, Joseph M., Gamelin, Daniel R., Li, Xiaosong
Format: Article
Language:English
Subjects:
Anisotropy
Electronic structure
Fine structure
Magnetic properties
Nanocrystals
Physics
Quantum confinement
Quantum dots
Spin-orbit interactions
Zinc oxide
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Summary:Semiconducting nanocrystals have been the subject of intense research due to the ability to modulate the electronic and magnetic properties by controlling the size of the crystal, introducing dopants, and surface modification. While relatively simple models such as a particle in a sphere can work well to describe moderately sized quantum dots, this approximation becomes less accurate for very small nanocrystals that are strongly confined. In this work, we report all-electron, relativistic ab initio electronic structure calculations for a series of ZnO quantum dots in order to study the modulation of the Rashba effect. The impact and magnitude of spin-orbit coupling and crystalline anisotropy on the fine structure of the band-edge excitonic manifold are discussed.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.5128355