The structure of the metallic high-pressure Fe<sub>3</sub>O<sub>4</sub> polymorph: experimental and theoretical study
L S Dubrovinsky; N A Dubrovinskaia; C McCammon; G Kh Rozenberg; R Ahuja; J M Osorio-Guillen; V Dmitriev; H-P Weber; T Le Bihan; B Johansson
Журнал:
Journal of Physics: Condensed Matter
Дата:
2003-11-19
Аннотация:
Using electrically- and laser-heated diamond anvil cells at pressures above 40 GPa we synthesized the pure high-pressure Fe<sub>3</sub>O<sub>4</sub> phase (h-Fe<sub>3</sub>O<sub>4</sub>)and performed an in situ structural refinement. In good agreement with our ab initio calculations we found that h-Fe<sub>3</sub>O<sub>4</sub> adopts the CaTi<sub>2</sub>O<sub>4</sub>-type structure (space group Bbmm). Electrical resistivity measurements show that h-Fe<sub>3</sub>O<sub>4</sub> is metallic up to at least 70 GPa.
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