Catalogo Articoli (Spogli Riviste)

OPAC HELP

Titolo:
STRUCTURAL AND ELECTRONIC-PROPERTIES OF LIQUID BORON FROM A MOLECULAR-DYNAMICS SIMULATION
Autore:
VAST N; BERNARD S; ZERAH G;
Indirizzi:
CEA,CTR ETUD LIMEIL VALENTON F-94195 VILLENEUVE ST GEO FRANCE
Titolo Testata:
Physical review. B, Condensed matter
fascicolo: 6, volume: 52, anno: 1995,
pagine: 4123 - 4130
SICI:
0163-1829(1995)52:6<4123:SAEOLB>2.0.ZU;2-R
Fonte:
ISI
Lingua:
ENG
Soggetto:
PURE BORON; ELEMENTS; STRESS;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
36
Recensione:
Indirizzi per estratti:
Citazione:
N. Vast et al., "STRUCTURAL AND ELECTRONIC-PROPERTIES OF LIQUID BORON FROM A MOLECULAR-DYNAMICS SIMULATION", Physical review. B, Condensed matter, 52(6), 1995, pp. 4123-4130

Abstract

An ab initio molecular-dynamics simulation of liquid boron is presented. At the density rho similar to 2 g cm(-3) and the temperature T similar to 2600 K, icosahedra are destroyed although atoms still form an open packing with sixfold coordination. Moreover, we found that most three-center covalent bonds, which make the cr-rhombohedral phase semiconducting, are destroyed. Furthermore, the estimated conductivity shows that boron undergoes a semiconductor-to-metal transition on melting,in agreement with the scarce experimental information.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 04/07/20 alle ore 22:40:18