Microscopic Theory of Plasmons in Substrate-Supported Borophene

16 March 2020, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

We compute the dielectric properties of freestanding and metal-supported borophene from first-principles time-dependent density functional theory. We find that both the low- and high-energy plasmons of borophene are fully quenched by the presence of a metallic substrate at borophene-metal distances smaller than $\simeq$ 9 \AA. Based on these findings, we derive an electrodynamic model of the interacting, momentum-dependent polarizability for a two-dimensional metal on a model metallic substrate, which quantitatively captures the evolution of the dielectric properties of borophene as a function of metal-borophene distance. Applying this model to a series of metallic substrates, we show that maximizing the plasmon energy detuning between borophene and substrate is the key material descriptor for plasmonic performance.


Keywords

Electronic structure
borophene
TDDFt
plasmons
electrodynamics

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