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

IUCr IT WDC

home archive editors for authors for readers submit subscribe open access

view article

Figure 4
(a) In situ atomic volume of Si that shows hysteresis on compression cycle at 300 K, starting from Si-I and on the recovery of Si-III. Heating is required to get into the state with initial volume (Si-I) via hexagonal Si-IV polytypes. (b) Critical behavior of unit-cell parameter a of Si-II, present fit (red line) gives critical exponent of ∼0.31. (c) Low compressibility of Si-II as compared to higher compressibility of Si-XI. Ambiguity of volume change ΔV during transformation of Si-II to Si-XI: ΔV at critical point versus ΔV at equilibrium. Possible time-retarded kinetic domains are indicated in blue. Black lines indicate the thermodynamic expectation of EOS.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

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

https://doi.org/10.1107/S2052520626004026

Open

access

Follow Acta Cryst. B

Search IUCr Journals		doi		Advanced search
Author		volume	page