Exciton fine structure in CdSe nanoplatelets using a quasi-two-dimensional screened configuration-interaction framework

We compute exciton binding energies and fine-structure splittings in CdSe nanoplatelets with two zincblende geometries and one wurtzite geometry, finding that the wurtzite structure exhibits the largest bright-bright splitting due to its intrinsic in-plane anisotropy, while the zincblende structures show smaller but finite splittings arising from atomistic symmetry breaking at edges and corners. These results are obtained using a theoretical framework that we developed, which combines DFT single-particle states with screened configuration interaction, a quasi-2D dielectric screening model, and an efficient Coulomb-cutoff scheme that eliminates periodic-image interactions and enables accurate Coulomb and exchange integrals at low computational cost. This methodology provides a transferable and practical route for studying excitons in CdSe nanoplatelets and other quasi-two-dimensional nanomaterials.

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Publication Details

Journal
Physical review. B./Physical review. B
Published
2026-11-02
DOI
https://doi.org/10.1103/rxg2-596c
Primary Topic
Quantum Dots Synthesis And Properties
Type
article
Field-Weighted Citation Impact
0.00

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article

Exciton fine structure in CdSe nanoplatelets using a quasi-two-dimensional screened configuration-interaction framework

Gabriel Bester, Sumanti Patra
Physical review. B./Physical review. B
Quantum Dots Synthesis And Properties
article

Exciton fine structure in CdSe nanoplatelets using a quasi-two-dimensional screened configuration-interaction framework

Gabriel Bester, Sumanti Patra
article en

Abstract

We compute exciton binding energies and fine-structure splittings in CdSe nanoplatelets with two zincblende geometries and one wurtzite geometry, finding that the wurtzite structure exhibits the largest bright-bright splitting due to its intrinsic in-plane anisotropy, while the zincblende structures show smaller but finite splittings arising from atomistic symmetry breaking at edges and corners. These results are obtained using a theoretical framework that we developed, which combines DFT single-particle states with screened configuration interaction, a quasi-2D dielectric screening model, and an efficient Coulomb-cutoff scheme that eliminates periodic-image interactions and enables accurate Coulomb and exchange integrals at low computational cost. This methodology provides a transferable and practical route for studying excitons in CdSe nanoplatelets and other quasi-two-dimensional nanomaterials.

Physical review. B./Physical review. B
Deutsche Forschungsgemeinschaft, Universität Hamburg
Openalex Percentile: Top 95%
Quantum Dots Synthesis And Properties
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