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.