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Pressure-induced structural transformations of the Zintl phase sodium silicide

Cabrera, R.Q. and Salamat, A. and Barkalov, O.I. and Leynaud, Olivier and Hutchins, P. and Daisenberger, D. and Machon, D. and Sella, A. and Lewis, D.W. and McMillan, P.F. (2009) Pressure-induced structural transformations of the Zintl phase sodium silicide. Journal of Solid State Chemistry 182 (9), pp. 2535-2542. ISSN 0022-4596.

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The high-pressure behaviour of NaSi has been studied using Raman spectroscopy and angle-dispersive synchrotron X-ray diffraction to observe the onset of structural phase transformations and potential oligomerisation into anionic Si nanoclusters with extended dimensionality. Our studies reveal a first structural transformation occurring at 8–10 GPa, followed by irreversible amorphisation above 15 GPa, suggesting the formation of Si–Si bonds with oxidation of the Si− species and reduction of Na+ to metallic sodium. We have combined our experimental studies with DFT calculations to assist in the analysis of the structural behaviour of NaSi at high pressure.

Item Type: Article
Keyword(s) / Subject(s): Sodium silicide; Zintl phase; High-pressure transition; Synchrotron X-ray diffraction, pressure-induced amorphisation, Raman spectroscopy, density functional calculation
School or Research Centre: Birkbeck Schools and Research Centres > School of Science > Biological Sciences
Depositing User: Administrator
Date Deposited: 27 Jul 2011 09:26
Last Modified: 17 Apr 2013 12:21

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