Pressure-Induced Structural transformations of the Zintl phase sodium silicide


The high-pressure behaviour of NaSi is 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.

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@inproceedings{Cabrera2017PressureInducedST, title={Pressure-Induced Structural transformations of the Zintl phase sodium silicide}, author={Ra{\'u}l Quesada Cabrera and Ashkan Salamat and Oleg Barkalov and Olivier Leynaud and Peter Hutchins and Dominik Daisenberger and Denis Machon and Andrea Sella and Dewi W. Lewis and Paul F McMillan and Christopher Ingold}, year={2017} }