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Titolo:
PHASE-TRANSITION IN AR(H-2)(2) - A PREDICTION OF METALLIC HYDROGEN ORGANIZED IN LAMELLAR STRUCTURES
Autore:
BERNARD S; LOUBEYRE P; ZERAH G;
Indirizzi:
CTR ETUD LIMEIL VALENTON,COMMISSARIAT ENERGIE ATOM F-94195 VILLENEUVEST GEO FRANCE UNIV PARIS 06,CNRS,URA 782 F-75252 PARIS FRANCE
Titolo Testata:
Europhysics letters
fascicolo: 7, volume: 37, anno: 1997,
pagine: 477 - 482
SICI:
0295-5075(1997)37:7<477:PIA-AP>2.0.ZU;2-6
Fonte:
ISI
Lingua:
ENG
Soggetto:
HIGH-PRESSURE; MOLECULAR-HYDROGEN; CRYSTAL-STRUCTURE; SOLID HYDROGEN; STATE; PSEUDOPOTENTIALS; DEUTERIUM; EQUATION; DYNAMICS; GPA;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
24
Recensione:
Indirizzi per estratti:
Citazione:
S. Bernard et al., "PHASE-TRANSITION IN AR(H-2)(2) - A PREDICTION OF METALLIC HYDROGEN ORGANIZED IN LAMELLAR STRUCTURES", Europhysics letters, 37(7), 1997, pp. 477-482

Abstract

The structural and electronic properties of the Ar(H-2)2 compound arestudied as a function of pressure by enthalpy calculations and ab initio molecular dynamics. A phase transition from a MgZn2 to an AlB2-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 H-2 molecules is seen to take place gradually, upon increasing pressure.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 06/07/20 alle ore 07:36:07