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http://hdl.handle.net/10553/121165
| Title: | Pressure-induced structural transformations of the Zintl phase sodium silicide | Authors: | Quesada Cabrera, Raúl Salamat, Ashkan Barkalov, Oleg I. Leynaud, Olivier Hutchins, Peter Daisenberger, Dominik Machon, Denis Sella, Andrea Lewis, Dewi W. McMillan, Paul F. |
UNESCO Clasification: | 220406 Fenómenos de alta presión 230117 Espectroscopia Ramn 221104 Cristalografía |
Keywords: | Sodium silicide Zintl phase High-pressure transition Synchrotron X-ray diffraction Pressure-induced amorphisation, et al |
Issue Date: | 2009 | Journal: | Journal of Solid State Chemistry | 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. © 2009 Elsevier Inc. All rights reserved. | URI: | http://hdl.handle.net/10553/121165 | ISSN: | 0022-4596 | DOI: | 10.1016/j.jssc.2009.06.037 | Source: | Journal of Solid State Chemistry [ISSN 0022-4596], v. 182(9), p. 2535-2542 |
| Appears in Collections: | Artículos |
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