Spectroscopic Evidence for the Tricapped Trigonal Prism Structure of Semiconductor Clusters | Zendy

Jürgen Müller | Zendy; Bei Liu | Zendy; Alexandre A. Shvartsburg | Zendy; Serdar Öğüt | Zendy; James R. Chelikowsky | Zendy; K. W. Michael Siu | Zendy; Kai-Ming Ho | Zendy; Gerd Ganteför | Zendy

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Spectroscopic Evidence for the Tricapped Trigonal Prism Structure of Semiconductor Clusters

Author(s) -

Jürgen Müller,

Bei Liu,

Alexandre A. Shvartsburg,

Serdar Öğüt,

James R. Chelikowsky,

K. W. Michael Siu,

Kai-Ming Ho,

Gerd Ganteför

Publication year - 2000

Publication title -

physical review letters

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.688

H-Index - 673

eISSN - 1079-7114

pISSN - 0031-9007

DOI - 10.1103/physrevlett.85.1666

Subject(s) - cluster (spacecraft) , trigonal crystal system , density functional theory , silicon , materials science , spectral line , prism , semiconductor , molecular physics , atomic physics , crystallography , physics , crystal structure , computational chemistry , chemistry , optics , optoelectronics , computer science , astronomy , programming language

We have obtained photoelectron spectra (PES) for silicon cluster anions with up to 20 atoms. Efficient cooling of species in the source has allowed us to resolve multiple features in the PES for all sizes studied. Spectra for an extensive set of low-energy Si(-)(n) isomers found by a global search have been simulated using density functional theory and pseudopotentials. Except for n = 12, calculations for Si(-)(n) ground states agree with the measurements. This does not hold for other plausible geometries. Hence PES data validate the tricapped trigonal prism morphologies for medium-sized Si clusters.

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