Ordered Helium Trapping and Bonding in Compressed Arsenolite: Synthesis of As4O6·2He - Sorbonne Université
Article Dans Une Revue Physical Review B: Condensed Matter and Materials Physics (1998-2015) Année : 2016

Ordered Helium Trapping and Bonding in Compressed Arsenolite: Synthesis of As4O6·2He

Alfonso Muñoz
Plácida Rodríguez-Hernández

Résumé

Compression of arsenolite has been studied from a joint experimental and theoretical point of view. Experiments on this molecular solid at high pressures with different pressure-transmitting media have been interpreted thanks to state-of-the-art ab initio calculations. Our results confirm arsenolite as one of the most compressible minerals and provide evidence for ordered helium trapping above 3 GPa between adamantane-type As4O6 cages. Our calculations indicate that, at relatively small pressures, helium establishes rather localized structural bonds with arsenic forming a new compound with stoichiometry As4O6·2He. All properties of As4O6·2He are different to those of parent As4O6. In particular, pressure-induced amorphization, which occurs in arsenolite above 15 GPa, is impeded in As4O6·2He; thus resulting in a mechanical stability of As4O6·2He beyond 30 GPa. Our work paves the way to explore the formation of new compounds by pressure-induced trapping and reaction of gases, small atomic or molecular species in the voids of molecular solids containing active lone electron pairs.
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Dates et versions

hal-01285738 , version 1 (09-03-2016)

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Juan A. Sans, Francisco J. Manjón, Catalin Popescu, Vanesa P. Cuenca-Gotor, Oscar Gomis, et al.. Ordered Helium Trapping and Bonding in Compressed Arsenolite: Synthesis of As4O6·2He. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2016, 93 (5), pp.054102. ⟨10.1103/PhysRevB.93.054102⟩. ⟨hal-01285738⟩
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