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Pressure-induced structural transformations of the Zintl phase sodium silicide

Cabrera, RQ; Salamat, A; Barkalov, OI; Leynaud, O; Hutchins, P; Daisenberger, D; ... McMillan, PF; + view all (2009) Pressure-induced structural transformations of the Zintl phase sodium silicide. J SOLID STATE CHEM , 182 (9) 2535 - 2542. 10.1016/j.jssc.2009.06.037.

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Abstract

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. (C) 2009 Elsevier Inc. All rights reserved.

Type:Article
Title:Pressure-induced structural transformations of the Zintl phase sodium silicide
DOI:10.1016/j.jssc.2009.06.037
Keywords:Sodium silicide, Zintl phase, High-pressure transition, Synchrotron X-ray diffraction, Pressure-induced amorphisation, Raman spectroscopy, Density functional calculation, ALKALIMETALLE ZU HALBMETALLEN, NAPB-TYPE STRUCTURE, DAS VERHALTEN, CRYSTAL-STRUCTURE, TRANSITION, SI, GERMANIUM, DENSITY, CSGE, RBGE
UCL classification:UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry

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