Abstract

Abstract Borophene monolayer with its intrinsic metallic and anisotropic band structures exhibits extraordinary electronic, optical, and transport properties. Especially, the high density of Dirac electrons enables promising applications for building low-loss broadband SPP devices. However, a systematic characterization of the surface plasmon polariton (SPP) properties and hot carriers generated from the inevitable SPP decay in borophene has not been reported so far. Most importantly, the mechanism for SPP losses remains obscurely quantified. In this work, from a fully first-principles perspective, we explicitly evaluate the main loss effects of SPP in borophene, including the Drude resistance, phonon-assisted intraband and direct interband electronic transitions. With this knowledge, we further calculate the frequency- and polarization-dependent SPP response of borophene, and evaluate some typical application-dependent figure of merits of SPP. On the other hand, we evaluate the generation and transport properties of plasmon-driven hot carriers in borophene, involving energy- and momentum-dependent carrier lifetimes and mean free paths, which provide deeper insight toward the transport of hot carriers at the nanoscale. These results indicate that borophene has promising applications in next-generation low-loss optoelectronic devices and photocatalytic reactors.

Highlights

  • Surface plasmon polariton (SPP) [1] is the collective oscillation of free electrons at metal/dielectric interfaces induced by incident light with a specific frequency, which has been attracting great attention in the realm of nanophotonics and optoelectronics

  • The results indicate that at energies less than 1.6 eV, the plasmonic decay is higher for X-polarized light than for Y-polarized light and it is opposite above 1.6 eV, Figure 3: Frequency-dependent momentum relaxation times of Ag(111) monolayer, bulk Ag, and borophene monolayer. (a) Imaginary part of the dielectric function obtained by experimental measurement and our calculation, as a function of photon energy, in bulk Ag. (b) Momentum relaxation times of phonon-assisted intraband electronic excitations, as a function of photon energies, in Ag(111) monolayer, bulk Ag, and borophene monolayer

  • Based on the first-principles calculations, we have systematically investigated the electronic structure, surface plasmon polariton (SPP), and plasmon-driven hot carrier properties of borophene monolayer

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Summary

Introduction

Surface plasmon polariton (SPP) [1] is the collective oscillation of free electrons at metal/dielectric interfaces induced by incident light with a specific frequency, which has been attracting great attention in the realm of nanophotonics and optoelectronics. In these systems, the electromagnetic field of SPP is evanescently confined in the normal direction of the interface, breaking the optical diffraction limit [2]. It is urgent to find a plasmonic material with low losses and broadband response for further development applications in optoelectronics, nanophotonics, and photocatalysis

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