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Updated: May 24, 2026

Fabrication and Optimization of Type II Silicon Clathrate Films

Fabrication and Optimization of Type II Silicon Clathrate Films

Published on: October 14, 2025

Gas-phase structures of neutral silicon clusters.

Marko Haertelt¹, Jonathan T Lyon, Pieterjan Claes

¹Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany.

The Journal of Chemical Physics

|February 25, 2012

Summary

Researchers measured vibrational spectra of neutral silicon clusters (Si(n), n=6-10, 15) using two IR spectroscopy methods. They identified cluster structures and found larger clusters adopt trigonal prism motifs, unlike smaller bipyramidal ones.

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Area of Science:

Physical Chemistry
Materials Science
Spectroscopy

Background:

Understanding the structure of silicon clusters is crucial for materials science and semiconductor development.
Previous studies have investigated silicon cations, but neutral cluster structures require further elucidation.

Purpose of the Study:

To experimentally determine the vibrational spectra and structures of neutral silicon clusters (Si(n), n=6-10, 15).
To compare different infrared spectroscopic techniques for cluster analysis.
To investigate the influence of electronic charge on cluster structure using computational methods.

Main Methods:

Gas-phase infrared (IR) multiple photon dissociation (MPD) spectroscopy of silicon cluster-xenon complexes.
Tunable IR-UV two-color ionization spectroscopy.
Density functional theory (DFT) calculations for structural identification.

Main Results:

Vibrational spectra were successfully measured for Si(n) clusters (n=6-10, 15).
Distinct structural motifs were identified: bipyramidal for smaller clusters and trigonal prism for larger ones.
Significant structural rearrangement was observed between neutral and cationic Si(8) due to bond weakening upon electron loss.

Conclusions:

The study provides experimental structural data for neutral silicon clusters, complementing previous cation studies.
DFT calculations successfully identified experimentally observed neutral cluster structures.
The transition from bipyramidal to trigonal prism motifs highlights size-dependent structural evolution in silicon clusters.