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Titolo:
CLUSTER MODEL STUDY ON GAAS EPITAXIAL CRYSTAL-GROWTH BY ARSENIC MOLECULAR-BEAM .2. AS2 ADSORPTION ON A GAAS SURFACE
Autore:
FUKUNISHI Y; NAKATSUJI H;
Indirizzi:
KYOTO UNIV,FAC ENGN,DEPT SYNTHET CHEM,SAKYO KU KYOTO 606 JAPAN INST FUNDAMENTAL CHEM,SAKYOU KU KYOTO 606 JAPAN
Titolo Testata:
Surface science
fascicolo: 1-2, volume: 291, anno: 1993,
pagine: 271 - 280
SICI:
0039-6028(1993)291:1-2<271:CMSOGE>2.0.ZU;2-I
Fonte:
ISI
Lingua:
ENG
Soggetto:
VAPOR-PHASE EPITAXY; INTERACTION KINETICS; 111 SURFACE; STATES;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
20
Recensione:
Indirizzi per estratti:
Citazione:
Y. Fukunishi e H. Nakatsuji, "CLUSTER MODEL STUDY ON GAAS EPITAXIAL CRYSTAL-GROWTH BY ARSENIC MOLECULAR-BEAM .2. AS2 ADSORPTION ON A GAAS SURFACE", Surface science, 291(1-2), 1993, pp. 271-280

Abstract

We study the chemisorption of an As2 cluster on a flat GaAs(100) surface and at the step site of this surface with the Hartree-Fock geometry optimization method followed by the energy calculation with the second-order Moller-Plesset perturbation method. On the flat surface, the activation energies for both molecular and dissociative adsorption arehigh and the molecular adsorption is more favorable than the dissociative one, so that the As2 Cluster is hardly adsorbed and dissociated. At the step site, on the other hand, the dissociative adsorption occurs smoothly: the dissociative adsorption becomes more favorable than the molecular one and the activation energy for the molecular adsorptionis only 9.6 kcal/mol. Therefore, the As2 cluster arriving at the stepsite is easily adsorbed and dissociated and thus one As layer is added on a Ga surface. We explain the mechanism of this reaction and the difference in the reactivity between the flat surface and the step site.

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Documento generato il 24/09/20 alle ore 01:38:14