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Multiscale Modeling of Broadband Perfect Absorbers Based on Gold Metallic Molecules

Perdana, Nanda 1; Holzer, Christof 1; Rockstuhl, Carsten 1,2
1 Institut für Theoretische Festkörperphysik (TFP), Karlsruher Institut für Technologie (KIT)
2 Institut für Nanotechnologie (INT), Karlsruher Institut für Technologie (KIT)


The modeling of functional photonic devices that rely on molecular materials continues to be a major contemporary challenge. It is a challenge because, in the Maxwell equations, which govern the light-matter interaction, material properties are primarily introduced on phenomenological grounds and not from first principles. To overcome such limitations, we outline a multiscale modeling approach that bridges multiple length scales. We can predict with our approach the optical response of a photonic device that exploits in its design molecular materials whose properties were determined using time-dependent density functional theory. The specifically considered device is a broadband perfect absorber that uses in part a thin film comprising gold molecules made from 144 atoms. Our methodology discloses various chemical and physical effects that define such a device’s response. Our methodology is versatile, and a larger number of applications will profit from this development.

Verlagsausgabe §
DOI: 10.5445/IR/1000149104
Veröffentlicht am 27.07.2022
DOI: 10.1021/acsomega.2c00911
Zitationen: 2
Web of Science
Zitationen: 2
Zitationen: 2
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Nanotechnologie (INT)
Institut für Theoretische Festkörperphysik (TFP)
Publikationstyp Zeitschriftenaufsatz
Publikationsdatum 14.06.2022
Sprache Englisch
Identifikator ISSN: 2470-1343
KITopen-ID: 1000149104
HGF-Programm 43.32.02 (POF IV, LK 01) Designed Optical Materials
Erschienen in ACS Omega
Verlag American Chemical Society (ACS)
Band 7
Heft 23
Seiten 19337–19346
Bemerkung zur Veröffentlichung Gefördert durch den KIT-Publikationsfonds
Vorab online veröffentlicht am 01.06.2022
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