Nonlinear optical conductivity of a two-band crystal I.

The structure of the electronic nonlinear optical conductivity is elucidated in a detailed study of the time-reversal symmetric two-band model. The nonlinear conductivity is decomposed as a sum of contributions related with different regions of the first Brillouin zone, defined by single or multiphoton resonances. All contributions are written in terms of the same integrals, which contain all information specific to the particular model under study. In this way, ready-to-use formulas are provided that reduce the often tedious calculations of the second and third order optical conductivity to the evaluation of a small set of similar integrals. In the scenario where charge carriers are present prior to optical excitation, Fermi surface contributions must also be considered and are shown to have an universal frequency dependence, tunable by doping. General characteristics are made evident in this type of resonance-based analysis: the existence of step functions that determine the chemical potential dependence of electron-hole symmetric insulators; the determination of the imaginary part by Hilbert transforms, simpler than those of the nonlinear Kramers-Krönig relations; the absence of Drude peaks in the diagonal elements of the second order conductivity, among others. As examples, analytical expressions are derived for the nonlinear conductivities of some simple systems: a very basic model of direct gap semiconductors and the Dirac fermions of monolayer graphene.

Optical absorption of single-layer hexagonal boron nitride in the ultraviolet.

In this paper we theoretically describe the absorption of hexagonal boron nitride (hBN) single layer. We develop the necessary formalism and present an efficient method for solving the Wannier equation for excitons. We give predictions for the absorption of hBN on quartz and on graphite. We compare our predictions with recently published results (Elias et al 2019 Nat. Commun. 10 2639) for a monolayer of hBN on graphite. The spontaneous radiative lifetime of excitons in hBN is also computed. We argue that the optical properties of hBN in the ultraviolet are very useful for the study of peptides and other biomolecules.

A study of the nonlinear optical response of the plain graphene and gapped graphene monolayers beyond the Dirac approximation.

In this work, we present numerical results for the second and third order conductivities of the plain graphene and gapped graphene monolayers associated with the second and third harmonic generation, the optical rectification and the optical Kerr effect. The frequencies considered here range from the microwave to the ultraviolet portion of the spectrum, the latter end of which had not yet been studied. These calculations are performed in the velocity gauge and directly address the components of the conductivity tensor. In the velocity gauge, the radiation field is represented by a power series in the vector potential, and we discuss a very efficient way of calculating its coefficients in the context of tight-binding models.