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

Journal Article · · Journal of Chemical Physics
DOI: https://doi.org/10.1063/1.5128355 · OSTI ID:1801729
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [2]
  1. Univ. of Washington, Seattle, WA (United States); OSTI
  2. Univ. of Washington, Seattle, WA (United States)
+ Show Author Affiliations

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.

Research Organization:
Univ. of Washington, Seattle, WA (United States)
Sponsoring Organization:
National Science Foundation (NSF); USDOE; USDOE Office of Science (SC)
Grant/Contract Number:
SC0006863
OSTI ID:
1801729
Journal Information:
Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 1 Vol. 152; ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English

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