Optical properties of Al nanostructures from time dependent density functional theory

Junais Habeeb Mokkath; Udo Schwingenschlögl

doi:10.1063/1.4945338

Optical properties of Al nanostructures from time dependent density functional theory

Junais Habeeb Mokkath, Udo Schwingenschlögl

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8 Scopus citations

Abstract

The optical properties of Al nanostructures are investigated by means of time dependent density functional theory, considering chains of varying length and ladders/stripes of varying aspect ratio. The absorption spectra show redshifting for increasing length and aspect ratio. For the chains the absorption is dominated by HOMO → LUMO transitions, whereas ladders and stripes reveal more complex spectra of plasmonic nature above a specific aspect ratio.

Original language	English (US)
Pages (from-to)	134305
Journal	The Journal of Chemical Physics
Volume	144
Issue number	13
DOIs	https://doi.org/10.1063/1.4945338
State	Published - Apr 5 2016

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). Computational resources provided by KAUST IT are gratefully acknowledged.

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https://repository.kaust.edu.sa/bitstream/10754/604977/1/1.4945338.pdf

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title = "Optical properties of Al nanostructures from time dependent density functional theory",

abstract = "The optical properties of Al nanostructures are investigated by means of time dependent density functional theory, considering chains of varying length and ladders/stripes of varying aspect ratio. The absorption spectra show redshifting for increasing length and aspect ratio. For the chains the absorption is dominated by HOMO → LUMO transitions, whereas ladders and stripes reveal more complex spectra of plasmonic nature above a specific aspect ratio.",

author = "Mokkath, {Junais Habeeb} and Udo Schwingenschl{\"o}gl",

note = "KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). Computational resources provided by KAUST IT are gratefully acknowledged.",

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N2 - The optical properties of Al nanostructures are investigated by means of time dependent density functional theory, considering chains of varying length and ladders/stripes of varying aspect ratio. The absorption spectra show redshifting for increasing length and aspect ratio. For the chains the absorption is dominated by HOMO → LUMO transitions, whereas ladders and stripes reveal more complex spectra of plasmonic nature above a specific aspect ratio.

AB - The optical properties of Al nanostructures are investigated by means of time dependent density functional theory, considering chains of varying length and ladders/stripes of varying aspect ratio. The absorption spectra show redshifting for increasing length and aspect ratio. For the chains the absorption is dominated by HOMO → LUMO transitions, whereas ladders and stripes reveal more complex spectra of plasmonic nature above a specific aspect ratio.

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Optical properties of Al nanostructures from time dependent density functional theory

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