Size and hydrogen saturation effects on third-order polarizabilities of Si clusters

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Detail(s)

Original languageEnglish
Pages (from-to)124-128
Journal / PublicationChemical Physics Letters
Volume509
Issue number4-6
Publication statusPublished - 14 Jun 2011

Abstract

We report the frequency-dependent third-order polarizabilities (γ) of a series of hydrogen-capped silicon clusters obtained using time-dependent density functional theory. We find that the magnitude of γ increases with a decrease in silicon cluster size, while the sign of γ at low input photon energy changes from positive to negative when the ratio of hydrogen saturation increases. At higher input photon energy, the sign of γ is determined mainly by cluster size. Our results rationalize several recent experiments on the optical properties of silicon nanostructures and are helpful for designing opto-electronic devices based on them. © 2011 Elsevier B.V. All rights reserved.

Citation Format(s)

Size and hydrogen saturation effects on third-order polarizabilities of Si clusters. / Lin, Chensheng; Cheng, Wendan; Wang, Jinyun; Zhang, Ruiqing.

In: Chemical Physics Letters, Vol. 509, No. 4-6, 14.06.2011, p. 124-128.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review