Inverse design of nanoparticles for enhanced Raman scattering

We show that topology optimization (TO) of metallic resonators can lead to ∼102 × improvement in surface-enhanced Raman scattering (SERS) efficiency compared to traditional resonant structures such as bowtie antennas. TO inverse design leads to surprising structures very different from conventional designs, which simultaneously optimize focusing of the incident wave and emission from the Raman dipole. We consider isolated metallic particles as well as more complicated configurations such as periodic surfaces or resonators coupled to dielectric waveguides, and the benefits of TO are even greater in the latter case. Our results are motivated by recent rigorous upper bounds to Raman scattering enhancement, and shed light on the extent to which these bounds are achievable. © 2020 Optical Society of America under the terms of the OSA Open Access Publishing Agreement

[1]  Steven G. Johnson,et al.  Cavity-enhanced second-harmonic generation via nonlinear-overlap optimization , 2015, 1505.02880.

[2]  R. Dasari,et al.  Single Molecule Detection Using Surface-Enhanced Raman Scattering (SERS) , 1997 .

[3]  Kent D. Choquette,et al.  Optimization of a single defect photonic crystal laser cavity , 2008 .

[4]  Ole Sigmund,et al.  Giga-voxel computational morphogenesis for structural design , 2017, Nature.

[5]  Steven G. Johnson,et al.  Limits to surface-enhanced Raman scattering near arbitrary-shape scatterers , 2019, NanoScience + Engineering.

[6]  R. V. Van Duyne,et al.  Probing the structure of single-molecule surface-enhanced Raman scattering hot spots. , 2008, Journal of the American Chemical Society.

[7]  Steven G. Johnson,et al.  Formulation for scalable optimization of microcavities via the frequency-averaged local density of states. , 2013, Optics express.

[8]  P. Mosier-Boss,et al.  Review of SERS Substrates for Chemical Sensing , 2017, Nanomaterials.

[9]  M. Kaniber,et al.  Surface plasmon resonance spectroscopy of single bowtie nano-antennas using a differential reflectivity method , 2016, Scientific reports.

[10]  O. Miller,et al.  High-NA achromatic metalenses by inverse design. , 2019, Optics express.

[11]  Ole Sigmund,et al.  On the usefulness of non-gradient approaches in topology optimization , 2011 .

[12]  Martin Moskovits,et al.  Electromagnetic theories of surface-enhanced Raman spectroscopy. , 2017, Chemical Society reviews.

[13]  O. SIAMJ.,et al.  A CLASS OF GLOBALLY CONVERGENT OPTIMIZATION METHODS BASED ON CONSERVATIVE CONVEX SEPARABLE APPROXIMATIONS∗ , 2002 .

[14]  B. Bourdin Filters in topology optimization , 2001 .

[15]  Steven G. Johnson,et al.  Fundamental limits to optical response in absorptive systems. , 2015, Optics express.

[16]  T. Trindade,et al.  Hybrid nanostructures for SERS: materials development and chemical detection. , 2015, Physical chemistry chemical physics : PCCP.

[17]  C. Ambrosch-Draxl,et al.  Optical Constants and Inelastic Electron-Scattering Data for 17 Elemental Metals , 2009 .

[18]  Jesper Mørk,et al.  Maximizing the quality factor to mode volume ratio for ultra-small photonic crystal cavities , 2018, Applied Physics Letters.

[19]  O. Sigmund,et al.  Topology optimization for nano‐photonics , 2011 .

[20]  Wenqi Zhu,et al.  Lithographically fabricated optical antennas with gaps well below 10 nm. , 2011, Small.

[21]  Vladimir M. Shalaev,et al.  Resonant Field Enhancements from Metal Nanoparticle Arrays , 2004 .

[22]  Wei Qian,et al.  The effect of plasmon field on the coherent lattice phonon oscillation in electron-beam fabricated gold nanoparticle pairs. , 2007, Nano letters.

[23]  E. Wadbro,et al.  Topology and shape optimization of plasmonic nano-antennas , 2015 .

[24]  Ole Sigmund,et al.  A non-linear material interpolation for design of metallic nano-particles using topology optimization , 2019, Computer Methods in Applied Mechanics and Engineering.

[25]  Ole Sigmund,et al.  On projection methods, convergence and robust formulations in topology optimization , 2011, Structural and Multidisciplinary Optimization.

[26]  H. Metiu Surface enhanced spectroscopy , 1984 .

[27]  Xuemei Han,et al.  Designing surface-enhanced Raman scattering (SERS) platforms beyond hotspot engineering: emerging opportunities in analyte manipulations and hybrid materials. , 2019, Chemical Society reviews.

[28]  P. Barber Absorption and scattering of light by small particles , 1984 .

[29]  Bernhard Lamprecht,et al.  Optical properties of two interacting gold nanoparticles , 2003 .

[30]  Anatoly V. Zayats,et al.  Amplification of surface-enhanced Raman scattering due to substrate-mediated localized surface plasmons in gold nanodimers , 2017 .

[31]  O. Sigmund,et al.  Minimum length scale in topology optimization by geometric constraints , 2015 .

[32]  F. Capolino,et al.  Comparison of Methods for Calculating the Field Excited by a Dipole Near a 2-D Periodic Material , 2007, IEEE Transactions on Antennas and Propagation.

[33]  Steven G. Johnson,et al.  Fluctuating volume-current formulation of electromagnetic fluctuations in inhomogeneous media: Incandescence and luminescence in arbitrary geometries , 2015, 1505.05026.

[34]  D. W. O. HEDDLE,et al.  Raman Spectroscopy , 1967, Nature.

[35]  A. Ishimaru,et al.  Radiation from periodic structures excited by an aperiodic source , 1965 .

[36]  D. Tortorelli,et al.  Design sensitivity analysis: Overview and review , 1994 .

[37]  James K. Guest,et al.  Achieving minimum length scale in topology optimization using nodal design variables and projection functions , 2004 .

[38]  Bounds on absorption and thermal radiation for arbitrary objects , 2019 .

[39]  Jelena Vucković,et al.  Inverse design in nanophotonics , 2018, Nature Photonics.

[40]  Stephen P. Boyd,et al.  Inverse design of a three-dimensional nanophotonic resonator. , 2011, Optics express.

[41]  R. Bachelot,et al.  Optimizing Electromagnetic Hotspots in Plasmonic Bowtie Nanoantennae. , 2013, The journal of physical chemistry letters.

[42]  Naomi J. Halas,et al.  Linear optical properties of gold nanoshells , 1999 .

[43]  B. Cui,et al.  Bowtie Nanoantenna with Single-Digit Nanometer Gap for Surface-Enhanced Raman Scattering (SERS) , 2015, Plasmonics.

[44]  Pablo G. Etchegoin,et al.  Surface Enhanced Raman Scattering Enhancement Factors: A Comprehensive Study , 2007 .

[45]  J. Popp,et al.  Surface-enhanced Raman spectroscopy , 2009, Analytical and bioanalytical chemistry.

[46]  Ole Sigmund,et al.  Creating geometrically robust designs for highly sensitive problems using topology optimization , 2015 .

[47]  G. Schatz,et al.  Electromagnetic fields around silver nanoparticles and dimers. , 2004, The Journal of chemical physics.

[48]  Yongmin Liu,et al.  Topology optimization of metal nanostructures for localized surface plasmon resonances , 2016 .

[49]  R. W. Christy,et al.  Optical Constants of the Noble Metals , 1972 .

[50]  Duncan Graham,et al.  Surface-enhanced Raman scattering , 1998 .

[51]  Ole Sigmund,et al.  Topology optimized gold nanostrips for enhanced near-infrared photon upconversion , 2017 .

[52]  O. Sigmund,et al.  Field-enhancing photonic devices utilizing waveguide coupling and plasmonics - a selection rule for optimization-based design. , 2018, Optics express.

[53]  Steven G. Johnson,et al.  Fluctuating-surface-current formulation of radiative heat transfer for arbitrary geometries , 2012, 1206.1772.

[54]  Gordon S. Kino,et al.  Field enhancement and gap-dependent resonance in a system of two opposing tip-to-tip Au nanotriangles , 2005 .