Exact polarizability and plasmon resonances of partly buried nanowires

The electrostatic polarizability for both vertical and horizontal polarization of two conjoined half-cylinders partly buried in a substrate is derived in an analytical closed-form expression. Using the derived analytical polarizabilities we analyze the localized surface plasmon resonances of three important metal nanowire configurations: (1) a half-cylinder, (2) a half-cylinder on a substrate, and (3) a cylinder partly buried in a substrate. Among other results we show that the substrate plays an important role for spectral location of the plasmon resonances. Our analytical results enable an easy, fast, and exact analysis of many complicated plasmonic nanowire configurations including nanowires on substrates. This is important both for comparison with experimental data, for applications, and as benchmarks for numerical methods

Optical third harmonic generation in black phosphorus

We present a calculation of Third Harmonic Generation (THG) for two-band systems using the length gauge that avoids unphysical divergences otherwise present in the evaluation of the third order current density response. The calculation is applied to bulk and monolayer black Phosphorus (bP) using a non-orthogonal tight-binding model. Results show that the low energy response is dominated by mixed inter-intraband processes and estimates of the magnitude of THG susceptibility are comparable to recent experimental reports for bulk bP samples.Comment: 9 pages, 5 figure

Field-induced dissociation of two-dimensional excitons in transition-metal dichalcogenides

Generation of photocurrents in semiconducting materials requires dissociation of excitons into free charge carriers. While thermal agitation is sufficient to induce dissociation in most bulk materials, an additional push is required to induce efficient dissociation of the strongly bound excitons in monolayer transition-metal dichalcogenides (TMDs). Recently, static in-plane electric fields have proven to be a promising candidate. In the present paper, we introduce a numerical procedure, based on exterior complex scaling, capable of computing field-induced exciton dissociation rates for a wider range of field strengths than previously reported in literature. We present both Stark shifts and dissociation rates for excitons in various TMDs calculated within the Mott-Wannier model. Here, we find that the field induced dissociation rate is strongly dependent on the dielectric screening environment. Furthermore, applying weak-field asymptotic theory (WFAT) to the Keldysh potential, we are able to derive an analytical expression for exciton dissociation rates in the weak-field region

Optical properties of graphene antidot lattices

Undoped graphene is semi-metallic and thus not suitable for many electronic and optoelectronic applications requiring gapped semiconductor materials. However, a periodic array of holes (antidot lattice) renders graphene semiconducting with a controllable band gap. Using atomistic modelling, we demonstrate that this artificial nanomaterial is a dipole-allowed direct gap semiconductor with a very pronounced optical absorption edge. Hence, optical infrared spectroscopy should be an ideal probe of the electronic structure. To address realistic experimental situations, we include effects due to disorder and the presence of a substrate in the analysis.Comment: 11 pages, 9 figures, accepted for publication in Phys. Rev.

Iterative approach to arbitrary nonlinear optical response functions of graphene

Two-dimensional materials constitute an exciting platform for nonlinear optics with large nonlinearities that are tunable by gating. Hence, gate-tunable harmonic generation and intensity-dependent refraction have been observed in e.g. graphene and transition-metal dichalcogenides, whose electronic structures are accurately modelled by the (massive) Dirac equation. We exploit on the simplicity of this model and demonstrate here that arbitrary nonlinear response functions follow from a simple iterative approach. The power of this approach is illustrated by analytical expressions for harmonic generation and intensity-dependent refraction, both computed up to ninth order in the pump field. Moreover, the results allow for arbitrary band gaps and gating potentials. As illustrative applications, we consider (i) gate-dependence of third- and fifth-harmonic generation in gapped and gapless graphene, (ii) intensity-dependent refractive index of graphene up to ninth order, and (iii) intensity-dependence of high-harmonic generation.Comment: 6 pages, 5 figures. Supplemental material: 6 pages, 2 figure

Linear and nonlinear optical response of crystals using length and velocity gauges: Effect of basis truncation

We study the effects of a truncated band structure on the linear and nonlinear optical response of crystals using four methods. These are constructed by (i) choosing either length or velocity gauge for the perturbation and (ii) computing the current density either directly or via the time-derivative of the polarization density. In the infinite band limit, the results of all four methods are identical, but basis truncation breaks their equivalence. In particular, certain response functions vanish identically and unphysical low-frequency divergences are observed for few-band models in the velocity gauge. Using hexagonal boron nitride (hBN) monolayer as a case study, we analyze the problems associated with all methods and identify the optimal one. Our results show that the length gauge calculations provide the fastest convergence rates as well as the most accurate spectra for any basis size and, moreover, that low-frequency divergences are eliminated.Comment: 11 pages, 7 figure