Abstract
Efficient unconditionally stable FDTD method is developed for the electromagnetic analysis of dispersive media. Toward this purpose, a quadratic complex rational function (QCRF) dispersion model is applied to the alternating-direction-implicit finite-difference time-domain (ADI-FDTD) method. The 3-D update equations of QCRF-ADI-FDTD are derived using Maxwell’s curl equations and the constitutive relation. The periodic boundary condition of QCRF-ADI-FDTD is discussed in detail. A 3-D numerical example shows that the time-step size can be increased by the proposed QCRF-ADI-FDTD beyond the Courant-Friedrich-Levy (CFL) number, without numerical instability. It is observed that, for refined computational cells, the computational time of QCRF-ADI-FDTD is reduced to 28.08 % of QCRF-FDTD, while the L2 relative error norm of a field distribution is 6.92 %.
© 2015 Optical Society of America
1 Introduction
The finite-difference time-domain (FDTD) method [1] has been popularly applied for a wide range of electromagnetic (EM) problems including lossy materials [2], plasmonic structures [3], magnetic photonic crystals [4], metamaterials [5], and organic solar cells [6]. FDTD is accurate and robust, and also it can obtain wideband EM responses by performing a single simulation. In FDTD, due to the time-domain approach, a proper dispersion model is required for analyzing materials with frequency-dependent characteristics. Recently, the quadratic complex rational function (QCRF) dispersion model was successfully employed for the FDTD analysis of dispersive media, such as human tissues [7], concrete materials [8], and silicon solar cells [9]. The QCRF dispersion model has higher degree of freedom than Debye [10], Drude [11], or Lorentz [12] models and also its coefficients can be obtained by a simple matrix calculation.
Due to the explicit solution of differential equations, the time-step size of FDTD is limited by the Courant-Friedrichs-Levy (CFL) stability limit [1] which is a function of minimum spatial grid sizes determined by the highest frequency and/or a given structure. When objects are much smaller than the wavelength of interests (e.g., thin film devices [13], subwavelength structures [14], or nanostructures [15]), a FDTD analysis is highly demanding. To overcome the CFL stability limit of FDTD, the alternating direction implicit (ADI)-FDTD can be used [16-18]. Since it involves an semi-implicit scheme, time-marching update equations can be calculated unconditionally stably by using a large time-step size beyond the CFL stability limit.
In this work, we apply the QCRF dispersion model to the ADI-FDTD algorithm to efficiently analyze optical wave propagation in dispersive media. The periodic boundary condition (PBC) is employed for the lateral computational cells to excite the plane wave with enhanced computational efficiency and the complex frequency-shifted (CFS) perfectly matched layer (PML) is used for the longitudinal direction to minimize spurious reflections from the computational boundary. Finally, a 3-D numerical example is used to illustrate the computational accuracy and efficiency of the proposed QCRF-ADI-FDTD.
2 Methodology
Before proceeding with the formulation of QCRF-ADI-FDTD, we briefly review the formulation of QCRF-FDTD [7]. We assume the time convention in what follows, where j= .
2.1 Formulation of QCRF-FDTD
In QCRF-FDTD, the relative permittivity part of a dispersive medium is expressed as
where , , , , are the real coefficients which can be simply obtained by a 5 5 matrix calculation [7]. In order to obtain the update equations of QCRF-FDTD, we consider the constitutive relation as followsBy applying the inverse Fourier transform and the central difference scheme (CDS), we have
With some manipulations, final update equation for can be obtained as follows
where , , , , and . Note that , , , , , and . In above, the superscript refers to the time-step indexing. The update equations of and can be obtained by applying the CDS to time-dependent Maxwell’s curl equations.2.2 Formulation of QCRF-ADI-FDTD
The ADI scheme requires updating EM field components from the time step to through two sub-iterations. Therefore, QCRF-ADI-FDTD update equations of can be written as
First sub-iteration:
Second sub-iteration:
Note that , , , , and are same as in FDTD but with different variables: , , , , , and . Similar to update equations, the update equations of and at each time step is divided into two sub-iterations and they can be obtained from time-dependent Maxwell’s curl equations. For example, the first sub-step update equations of the and are derived as
where the subscript refers to the spatial grid indexing. Note that we cannot solve and directly from Eqs. (9) and (10), because field values at the simultaneous time ( ) are involved. Therefore, plugging Eq. (5) into Eq. (10) and then putting the resulting equation into Eq. (9), we have where and . Note that Eq. (11) can be efficiently solved by the Thomas algorithm [19]. Overall, the 3-D QCRF-ADI-FDTD procedure in the first sub-iteration is summarized asAn analogous procedure can be applied for deriving the update equations of QCRF-ADI-FDTD in the second sub-iteration. In this work, the CFS-PML [20] is employed to minimize spurious reflection from the outer grid boundaries along the longitudinal ( ) direction. By using a complex stretched coordinate technique [21], the CFS-PML implementation of QCRF-ADI-FDTD can be straightforwardly obtained and thus details are omitted in this paper. On the other hand, we employ the PBC [22] on the lateral ( and ) direction to efficiently excite the plane wave and details on the PBC implementation of QCRF-ADI-FDTD will be discussed in the next section.
2.3 Periodic Boundary Condition of QCRF-ADI-FDTD
When applying the PBC to QCRF-ADI-FDTD, the update equations of do not have a tridiagonal matrix form anymore. Without loss of generality, we consider the directional periodicity. We can write the update equation of in the first sub-iteration as a cyclic tridiagonal matrix form
Let us consider the PBC at . As seen from Eq. (11) and Fig. 1(a), to update , we need , , , and . They are not allocated in the computer memory and thus we use alternative field values using the periodicity:
When updating at (see Fig. 1(b)), we can simply use the filed value at :
For updating , we need and we can use the following relation:
Also, we replace at as
Note that, in the directional periodicity, no special PBC treatments are needed for other field components ( , , , and ). Similar PBCs are straightforwardly applied for the directional periodicity and the second-sub-step update equations. It is worthwhile to note that the cyclic tridiagonal matrix in Eq. (12) can be applied for the case of , differently from the previous literature (see Eq. (13) in [22]). To solve Eq. (12), the Sherman-Morrison algorithm [19, 23] is applied as what follows. Let us consider Eq. (12) as a perturbation of matrix by the by following relation
Then, we use the Thomas algorithm to evaluate two auxiliary vectors ( and )
After solving and , the final update equation of can be obtained via
where3 Numerical Example
As a proof of concept of QCRF-ADI-FDTD, we analyze optical wave interaction with a square periodic array of Ag nanospheres (the Ag radius of 10 nm and the center-to-center distance of 40 nm) surrounded by SiO under a normal incident -polarized plane wave excitation (see Fig. 2(a)). The observation point is located at the center on a transverse plane and 5 nm below from the plane wave source plane. Ten CFS-PML layers are used for the direction and the PBC is used for the and directions. The total physical domain is 40 nm 40 nm 60 nm. We set , , , and for the QCRF coefficients of Ag. Note that we use a constant relative permittivity of 2.25 for SiO . We define the CFL number ( ) as and we use cubic cells ( ). Before proceeding, we first perform a convergence test by varying the space-step sizes in FDTD simulations. The space-step sizes larger than 2 nm lead to high staircasing errors and the space-step sizes smaller than 0.25 nm lead to overwhelming computational costs. Therefore, we consider , 1 nm, 0.5 nm, and 0.25 nm for the convergence test. Figure 2(b) shows the relative error of field against the reference data (extracted from ) defined by [1]. The maximum relative error is 10.44%, 3.28%, and 1.14% for , 1 nm, and 0.5 nm respectively.
We first employ computational cells with . Figure 3(a) shows the time response of field and good agreement is observed between QCRF-FDTD and QCRF-ADI-FDTD up to . Figure 3(b) represents the relative error using QCRF-FDTD as reference, showing that the maximum relative error of QCRF-ADI-FDTD is 4.6%, 6.79%, and 14.09% for , 8, and 16 respectively. Next, we employ computational cells with . Figure 4(a) shows the time response of field and good agreement is observed between QCRF-FDTD and QCRF-ADI-FDTD up to . Figure 4(b) represents the relative error using QCRF-FDTD as reference, showing that the maximum relative error of QCRF-ADI-FDTD is 2.6%
, 4.29%, and 7.45% for , 8, and 16 respectively. Figure 5 shows the snapshots of field on the -plane at the center of the Ag nanosphere at the time instant of 0.0034795 ps, obtained from QCRF-FDTD with and QCRF-ADI-FDTD with for . Overall, the field distribution of QCRF-ADI-FDTD agrees well with that of FDTD. We also calculate the relative error norm [24] of the field against the reference data (extracted from QCRF-FDTD) by
It turns out that . Finally, we compare the computational time of QCRF-ADI-FDTD normalized by the QCRF-FDTD counterpart in Fig. 6. Note that CPU the time of QCRF-ADI-FDTD with is 56.17 % and that of QCRF-ADI-FDTD with is 28.08 %, compared to the QCRF-FDTD counterpart.
4 Conclusion
The QCRF dispersion model has been successfully applied to ADI-FDTD for the efficient optical analysis of dispersive media. In this work, the formulations of update equations and the PBC are derived in detail. The computational accuracy and efficiency of the proposed QCRF-ADI-FDTD is validated through the 3-D numerical example. For computational cells with , the QCRF-ADI-FDTD with agrees well with the QCRF-FDTD counterpart, with the speedup enhancement of 3.56. QCRF-ADI-FDTD can be applied for the efficient optical analysis of electrically refined structures, such as nanowires, nanoholes, or plasmonic organic solar cells. It is also noting that the QCRF dispersion model can be extended to the pseudo-spectral time domain (PSTD) method [25-27].
Acknowledgments
This research was supported by Agency for Defense Development (ADD).
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