Abstract
Rigorous mathematical models of nonlinear terahertz (THz) graphene-based devices are developed by solving nonlinear Maxwell’s equations with boundary conditions simultaneously with a model of graphene surface conductivity as a nonlinear function on the time-varying electric field. The numerical approach is based on the projection method. Nonlinear phenomena, related to the parametric instability due excitations by the incident pumping TEM-wave in the multilayer graphene-dielectric nanostructures, are investigated numerically at THz frequencies.
Keywords
Introduction
Nonlinear effects have attracted attention in graphene, where a number of phenomena, including second and third harmonic generation, frequency mixing spatial, self-phase modulation and optical Kerr effect, have been theoretically discussed and recently were verified experimentally [1]. Four-wave mixing is an important parametric process that has numerous applications, such as parametric amplification, phase conjugation, wavelength conversion, optical sampling, signal regeneration [2].
In order to model graphene-comprising waveguides [3,4] and graphene-cavity [5] in the linear regime the commercial Finite-Element Method (FEM) and Finite-Difference Time-Domain Method (FDTDM) are utilized as a numerical tool. Nonlinear propagation in 3D nanophotonic graphene-comprising waveguides of several types is tackled by introducing the nonlinear polarization and the current as a perturbation to the linear solution [3]. The four-wave mixing effect in the hybrid graphene sheets waveguides [4] and graphene-silicon slow-light photonic crystal waveguides [6] was investigated by solving the modified coupled mode equations.
In contrast to these simplified nonlinear coupled-mode theory simulations [3–6] the alternative approach is the solution of 3D nonlinear boundary problems without any simplification of the Maxwell’s equations (Eqs.) and boundary conditions. In this work a numerical approach for the analysis of nonlinear, parametric interactions of electromagnetic waves with 3D graphene nanostructures in arbitrary configurations was developed to solve the nonlinear Maxwell’s Eqs. rigorously in order to recognize and predict nonlinear physical phenomena and effects aimed to design reconfigurable nonlinear graphene-based THz devices taking into account the constrained geometries. We have created a computing algorithm, using the numerical methods of autonomous blocs with the Floquet channels [9] for modeling and CAD of nonlinear graphene-based THz devices.
Rigorous mathematical model
The rigorous mathematical models of nonlinear graphene-contained THz devices are based on the solution of the nonlinear diffraction boundary problems for Maxwell’s Eqs.:
The nonlinear dependence σ
s
(|
Let’s represent the fields
We consider the nonlinear THz graphene-based devices as “waveguide transformers” (WT) [8] with the Floquet channels [9] on the inputs cross-sections S 𝛽. The descriptors of WT [8] are determined by solving the 3D diffraction boundary problems, taken into account the boundary conditions.
We find the solution of the 3D diffraction problem for the stationary Maxwell’s Eq. (4) in the form of Fourier’s series using eigenwaves
Taking into account (5), we represent the Maxwell’s Eqs. (4) in the projection integral form [10]:
When the magnitudes
Let us consider a specific example for the investigation into parametric interactions of electromagnetic waves with graphene-based nanostructures at THz frequencies. Numerical calculations were performed for the case of the parametric THz device based on the multilayer graphene-dielectric nanostructure (Fig. 1), containing N graphene sheets, layers of dielectric SiO 2 (ϵ a = 2.2) of thickness d 1 = 10 nm, and a layer of dielectric 𝛼 − Ge (ϵ a = 18.5) of thickness d 2 = 2800 nm. We consider the parametric THz device (Fig. 1) as a WT [8] with the Floquet channels [9] on the inputs cross-sections S 𝛽, 𝛽 = 1,2, …4. (The local coordinate systems are used on the cross-sections S 𝛽 of WT [8]).
Let’s assume that two electromagnetic waves: the signal wave of frequency ω1 and the pumping wave of frequency ω2 are incident on the input cross-sections S
1 and S
2 of WT, correspondingly (Fig. 1). There are TEM-modes, having magnitudes

Parametric graphene-based THz device as a “waveguide transformer” with the Floquet channels on the inputs cross-sections S
1, S
2, S
3, S
4: the signal TEM-wave (frequency ω1, magnitude
The external bias electric field
Using the computational algorithm based on the decomposition approach by autonomous blocks with Floquet channels [9] the results of electrodynamic calculation of the modulus of scattering parameter |S 31| of multilayer graphene-dielectric nanostructure (Fig. 1), depending on the frequency, for different values of chemical potential 𝜇 c (external bias electric field E z0) were obtained and shown in Fig. 2 (dashed-line curve: N = 39; solid-line curve: N = 79).

Scattering parameter |S 31| of multilayer graphene-dielectric nanostructure depending on the frequency for different values of chemical potential 𝜇 c (external bias electric field E 0z ): curves1 −𝜇 c = 0 (E z0 = 0); 2 −𝜇 c = 0.2 eV (E z0 = 0.5 V/nm); 3 −𝜇 c = 0.4 eV (E z0 = 1.0 V/nm); dashed-line curve N = 39; solid-line curve N = 79).
As shown in Fig. 2, upon increasing the value of chemical potential 𝜇 c the location of the maximum of the transmission coefficient |S 31| through the multilayer graphene-dielectric nanostructure (Fig. 1) is moving and, consequently, the resonance frequency ω0 of this band pass filter can be tuned significantly by changing the external bias electric field E z0.
If the stable regime of the regenerative parametric amplification is analyzed (the magnitude of signal TEM-wave

Normalized magnitude
If the regime of the parametric generation is analyzed
The results of analysis of instability regions, depending on the magnitude

Instability regions for parametric excitation in the graphene-based THz generator, depending on the magnitude
In the regions of instability the determinant of SLAE (10) is equal to zero (or close to zero), consequently, the multilayer (N = 79) graphene-dielectric nanostructure (Fig. 1) becomes a parametric generator at frequencies ω0 = nω2∕2, where n =1,2,3, … (f 0 = f 2∕2 = 14.15 THz for the first order n = 1 and f 0 = f 2 = 28.3 THz for the second order n = 2 processes of the parametric excitation (Fig. 4)), tunable by changing the resonance frequency f 0 of graphene nanostructure.
Using rigorous mathematical models taking into account the constrained geometries it is shown that the threshold magnitudes of parametric instability in the parametric THz graphene-based devices depend on the value of chemical potential, as a result, it can be tuned by the external bias electric field and also controlled by engineering the configuration and sizes of graphene nanostructures.
In contrast to previous works [3–6,14–16], the numerical approach, developed in this paper, permits to investigate the instabilities of fields of electromagnetic waves in strongly nonlinear bounded 3D graphene nanostructures; to determine the new solutions of nonlinear Maxwell’s equations; to follow the changes of the wave instabilities depending on the values of control parameters and their sensitivity to the transition regimes of nonlinear graphene-based THz devices. Using these rigorous mathematical models new results are expected to predict the nonlinear diffraction, multistability, generation of higher order time harmonics, solitons etc. in 3D photonics graphene-based devices.
Using this technique, reliable engineering methods for the CAD for the numerical computation of nonlinear electromagnetic properties of graphene-based nanomaterials, applied in the modern high technology, and future nonlinear photonic and optoelectronic graphene-based devices (frequency mixers, frequency multipliers, generators of higher order time harmonics) may be developed.
Footnotes
Acknowledgements
This work is carried out within the theme “Spin” No. 01.2.006 01201463330, with partial support of grant from Russian Science Foundation and No. 17-12-01002 (Section 4).
