Issue |
Europhys. Lett.
Volume 37, Number 7, March I 1997
|
|
---|---|---|
Page(s) | 477 - 482 | |
Section | Condensed matter: electronic structure, electrical, magnetic and optical properties | |
DOI | https://doi.org/10.1209/epl/i1997-00175-8 | |
Published online | 01 September 2002 |
Phase transition in Ar(H2)2: a prediction of metallic hydrogen organized in lamellar structures
1
Commissariat à l'Energie Atomique, Centre d'Etudes de Limeil-Valenton, 94195 Villeneuve Saint Georges, France
2
Physique des Milieux Condensés (CNRS URA 782), Boîte 77, Université Paris 6, 4 place Jussieu, 75252 Paris, France
Received:
5
August
1996
Accepted:
27
January
1997
The structural and electronic properties of the compound are
studied as a function of pressure by enthalpy calculations and ab initio
molecular dynamics. A phase transition from a
to an
-type structure is shown to take place around 250 GPa. In the latter
structure, the Ar atoms form hexagonal close-packed layers which force the
overlap of hydrogen and hence its metallization within experimental reach.
Dissociation of
molecules is seen to take place gradually, upon
increasing pressure.
PACS: 71.30.+h – Metal-insulator transitions and other electronic transitions / 62.50.+p – High-pressure and shock-wave effects in solids and liquids / 71.10.-w – Theories and models of many electron systems
© EDP Sciences, 1997
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