Silicon allotropes by large-volume high-pressure techniques: crystal growth mechanisms, phase diagrams and hexagonal nanostructured Si-6H by in situ X-ray diffraction and computational methods

Courac, A.; Le Godec, Y.

doi:10.1107/S2052520626004026

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 10
Phase diagrams of silicon by various methods. (a) Ab initio simulations (Bartók et al., 2018

), (b) Shear stress stabilization of Si-III (Blank & Estrin, 2013

), (c) eye-guided lines to in situ points (Kubo et al., 2008

) (see text) and (d) eye-guided Thermocalc simulations of the domain of interest (one HP liquid with adjusted compressibility) (Courac, Le Godec et al., 2025

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 82| Part 3| June 2026| Pages 280-298

https://doi.org/10.1107/S2052520626004026

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