FDTD for plasmonics: Applications in enhanced Raman spectroscopy

Abstract

The exact electromagnetic enhancement mechanism behind SERS, TERS, HERS and SHINERS is one of the issues focused on in the study of enhanced Raman spectroscopy. The three dimensional finite difference time domain method (3D-FDTD), which is widely used in nanoplasmonic simulations, not only provides us with a powerful numerical tool for theoretical studies of the ERS electromagnetic enhancement mechanism, but also serves as a useful tool for the design of ERS-active systems with higher sensitivities and spectral spatial resolution. In this paper, we first introduce the fundamental principles of FDTD algorithms, and then the size-dependent dielectric function of dispersive metallic material is discussed. A comparative study of FDTD and rigorous Mie evaluations of electromagnetic fields in the vicinity of a system of self-similar nanospheres shows an excellent correlation between the two computational methods, directly confirming the validity and accuracy of 3D-FDTD simulations in ERS calculations. Finally, we demonstrate, using a TERS calculation as an example, that the non-uniform mesh method can be more computationally efficient without loss of accuracy if it is applied correctly.