Optical properties of Al nanostructures from time dependent density functional theory
KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2016-04-05
Print Publication Date2016-04-07
Permanent link to this recordhttp://hdl.handle.net/10754/604977
MetadataShow full item record
AbstractThe 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.
CitationOptical properties of Al nanostructures from time dependent density functional theory 2016, 144 (13):134305 The Journal of Chemical Physics
SponsorsThe 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.
JournalThe Journal of Chemical Physics
- Effects of electronic mixing in ruthenium(II) complexes with two equivalent acceptor ligands. spectroscopic, electrochemical, and computational studies.
- Authors: Allard MM, Odongo OS, Lee MM, Chen YJ, Endicott JF, Schlegel HB
- Issue date: 2010 Aug 2
- Electronic properties of [core+exo]-type gold clusters: factors affecting the unique optical transitions.
- Authors: Shichibu Y, Konishi K
- Issue date: 2013 Jun 3
- First hyperpolarizability of a sesquifulvalene transition metal complex by time-dependent density-functional theory.
- Authors: Hieringer W, Baerends EJ
- Issue date: 2006 Jan 26
- Optical absorption spectra of gold clusters Au(n) (n = 4, 6, 8,12, 20) from long-range corrected functionals with optimal tuning.
- Authors: Koppen JV, Hapka M, Szczęśniak MM, Chałasiński G
- Issue date: 2012 Sep 21