Substrate effects on the exciton fine structure of black phosphorus quantum dots

Substrate effects on the exciton fine structure of black phosphorus quantum dots We study the size-dependent exciton fine structure in monolayer black phosphorus quantum dots (BPQDs) deposited on different substrates (isolated, Si, and SiO2) using a combination of the tight-binding method to calculate single-particle states and the configuration interaction formalism to determine the excitonic spectrum. We demonstrate that the substrate plays a dramatic role in the excitonic gaps and excitonic spectrum of the QDs. For reasonably high dielectric constants (ɛsub∼ɛSi=11.7ɛ0), the excitonic gap can be described by a single power law EX(R)=EX(bulk)+C/Rγ. For low dielectric constants ɛsub≤ɛSiO2=3.9ɛ0, the size dependence of the excitonic gaps requires the sum of two power laws EX(R)=Eg(bulk)+A/Rn−B/Rm to describe both strong and weak quantum confinement regimes, where A, B, C, γ, n, and m are substrate-dependent parameters. We also predict that the exciton lifetimes exhibit a strong temperature dependence, ranging between 2–8 ns (Si substrate) and 3–11 ns (SiO2 substrate) for QDs up 10 nm in size. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review B American Physical Society (APS)

Substrate effects on the exciton fine structure of black phosphorus quantum dots

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Substrate effects on the exciton fine structure of black phosphorus quantum dots

Abstract

We study the size-dependent exciton fine structure in monolayer black phosphorus quantum dots (BPQDs) deposited on different substrates (isolated, Si, and SiO2) using a combination of the tight-binding method to calculate single-particle states and the configuration interaction formalism to determine the excitonic spectrum. We demonstrate that the substrate plays a dramatic role in the excitonic gaps and excitonic spectrum of the QDs. For reasonably high dielectric constants (ɛsub∼ɛSi=11.7ɛ0), the excitonic gap can be described by a single power law EX(R)=EX(bulk)+C/Rγ. For low dielectric constants ɛsub≤ɛSiO2=3.9ɛ0, the size dependence of the excitonic gaps requires the sum of two power laws EX(R)=Eg(bulk)+A/Rn−B/Rm to describe both strong and weak quantum confinement regimes, where A, B, C, γ, n, and m are substrate-dependent parameters. We also predict that the exciton lifetimes exhibit a strong temperature dependence, ranging between 2–8 ns (Si substrate) and 3–11 ns (SiO2 substrate) for QDs up 10 nm in size.
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Publisher
The American Physical Society
Copyright
Copyright © ©2017 American Physical Society
ISSN
1098-0121
eISSN
1550-235X
D.O.I.
10.1103/PhysRevB.96.035122
Publisher site
See Article on Publisher Site

Abstract

We study the size-dependent exciton fine structure in monolayer black phosphorus quantum dots (BPQDs) deposited on different substrates (isolated, Si, and SiO2) using a combination of the tight-binding method to calculate single-particle states and the configuration interaction formalism to determine the excitonic spectrum. We demonstrate that the substrate plays a dramatic role in the excitonic gaps and excitonic spectrum of the QDs. For reasonably high dielectric constants (ɛsub∼ɛSi=11.7ɛ0), the excitonic gap can be described by a single power law EX(R)=EX(bulk)+C/Rγ. For low dielectric constants ɛsub≤ɛSiO2=3.9ɛ0, the size dependence of the excitonic gaps requires the sum of two power laws EX(R)=Eg(bulk)+A/Rn−B/Rm to describe both strong and weak quantum confinement regimes, where A, B, C, γ, n, and m are substrate-dependent parameters. We also predict that the exciton lifetimes exhibit a strong temperature dependence, ranging between 2–8 ns (Si substrate) and 3–11 ns (SiO2 substrate) for QDs up 10 nm in size.

Journal

Physical Review BAmerican Physical Society (APS)

Published: Jul 13, 2017

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