TY - JOUR
T1 - A Library of Late Transition Metal Alloy Dielectric Functions for Nanophotonic Applications
AU - Rahm, J. Magnus
AU - Tiburski, Christopher
AU - Rossi, Tuomas P.
AU - Nilsson, Sara
AU - Langhammer, Christoph
AU - Erhart, Paul
AU - NUGROHO, FERRY ANGGORO ARDY
N1 - Funding Information:
J.M.R. and C.T. contributed equally to this work. The work was funded by the Knut and Alice Wallenberg Foundation projects 2014.0226, 2016.0210, and 2015.0055, the Swedish Research Council project grants 2015‐04153, 2015‐05115, and 2018‐06482, and the Swedish Foundation for Strategic Research Materials framework grant RMA15‐0052. T.P.R. acknowledges support from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska‐Curie grant agreement No 838996. Part of this work was carried out at the MC2 cleanroom facility and at the Chalmers Materials Analysis Laboratory. Computer time allocations by the Swedish National Infrastructure for Computing at C3SE (Gothenburg), NSC (Linköping), and PDC (Stockholm) are gratefully acknowledged.
Funding Information:
J.M.R. and C.T. contributed equally to this work. The work was funded by the Knut and Alice Wallenberg Foundation projects 2014.0226, 2016.0210, and 2015.0055, the Swedish Research Council project grants 2015-04153, 2015-05115, and 2018-06482, and the Swedish Foundation for Strategic Research Materials framework grant RMA15-0052. T.P.R. acknowledges support from the European Union's Horizon 2020 research and innovation programme under the Marie Sk?odowska-Curie grant agreement No 838996. Part of this work was carried out at the MC2 cleanroom facility and at the Chalmers Materials Analysis Laboratory. Computer time allocations by the Swedish National Infrastructure for Computing at C3SE (Gothenburg), NSC (Link?ping), and PDC (Stockholm) are gratefully acknowledged.
Publisher Copyright:
© 2020 The Authors. Published by WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
PY - 2020/8/1
Y1 - 2020/8/1
N2 - Accurate complex dielectric functions are critical to accelerate the development of rationally designed metal alloy systems for nanophotonic applications, and to thereby unlock the potential of alloying for tailoring nanostructure optical properties. To date, however, accurate alloy dielectric functions are widely lacking. Here, a time-dependent density-functional theory computational framework is employed to compute a comprehensive binary alloy dielectric function library for the late transition metals most commonly employed in plasmonics (Ag, Au, Cu, Pd, Pt). Excellent agreement is found between electrodynamic simulations based on these dielectric functions and selected alloy systems experimentally scrutinized in 10 at% composition intervals. Furthermore, it is demonstrated that the dielectric functions can vary in very non-linear fashion with composition, which paves the way for non-trivial optical response optimization by tailoring material composition. The presented dielectric function library is thus a key resource for the development of alloy nanomaterials for applications in nanophotonics, optical sensors, and photocatalysis.
AB - Accurate complex dielectric functions are critical to accelerate the development of rationally designed metal alloy systems for nanophotonic applications, and to thereby unlock the potential of alloying for tailoring nanostructure optical properties. To date, however, accurate alloy dielectric functions are widely lacking. Here, a time-dependent density-functional theory computational framework is employed to compute a comprehensive binary alloy dielectric function library for the late transition metals most commonly employed in plasmonics (Ag, Au, Cu, Pd, Pt). Excellent agreement is found between electrodynamic simulations based on these dielectric functions and selected alloy systems experimentally scrutinized in 10 at% composition intervals. Furthermore, it is demonstrated that the dielectric functions can vary in very non-linear fashion with composition, which paves the way for non-trivial optical response optimization by tailoring material composition. The presented dielectric function library is thus a key resource for the development of alloy nanomaterials for applications in nanophotonics, optical sensors, and photocatalysis.
KW - nanoalloys
KW - nanofabrication
KW - optical response
KW - time-dependent density-functional theory
UR - http://www.scopus.com/inward/record.url?scp=85085709830&partnerID=8YFLogxK
U2 - 10.1002/adfm.202002122
DO - 10.1002/adfm.202002122
M3 - Article
AN - SCOPUS:85085709830
SN - 1616-301X
VL - 30
JO - Advanced Functional Materials
JF - Advanced Functional Materials
IS - 35
M1 - 2002122
ER -