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

J. S. de Sousa, M. A. Lino, D. R. da Costa, A. Chaves, J. M. Pereira, Jr., and G. A. Farias

Phys. Rev. B 96, 035122

2017

arXiv.org
Acess article

Abstract

We study the size-dependent exciton fine structure in monolayer black phosphorus quantum dots (BPQDs) deposited on different substrates (isolated, Si, and SiO$_2$) 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 (\epsilon_{sub}∼\epsilon_{Si} = 11.7\epsilon_0$), the excitonic gap can be described by a single power law EX(R)=E(bulk)X+C/Rγ. For low dielectric constants $\epsilon_sub≤\epsilon_SiO_2 = 3.9 \epsilon_0$, the size dependence of the excitonic gaps requires the sum of two power laws EX(R)=E(bulk) g+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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