Quasi-band structure of quantum-confined nanocrystals

Buerkle, Marius and Lozac’h, Mickaël and Mariotti, Davide and Švrček, Vladimir (2023) Quasi-band structure of quantum-confined nanocrystals. Scientific Reports, 13. 4684. ISSN 2045-2322 (https://doi.org/10.1038/s41598-023-31989-8)

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Abstract

Abstract. We discuss the electronic properties of quantum-confined nanocrystals. In particular, we show how, starting from the discrete molecular states of small nanocrystals, an approximate band structure (quasi-band structure) emerges with increasing particle size. Finite temperature is found to broaden the discrete states in energy space forming even for nanocrystals in the quantum-confinement regime quasi-continuous bands in k-space. This bands can be, to a certain extend, interpreted along the lines of standard band structure theory, while taking also finite size and surface effects into account. We discuss this on various prototypical nanocrystal systems.

ORCID iDs

Buerkle, Marius, Lozac’h, Mickaël, Mariotti, Davide ORCID logoORCID: https://orcid.org/0000-0003-1504-4383 and Švrček, Vladimir;
CORE (COnnecting REpositories)