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Title: Evidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3S
Author: Torres, D.
Carro, P.
Salvarezza, R. C.
Illas i Riera, Francesc
Keywords: Termodinàmica
Estructura atòmica
Atomic structure
Issue Date: 30-Nov-2006
Publisher: American Physical Society
Abstract: The atomic structure and thermodynamic stability of Ag ( 111 ) ( √ 7 × √ 7 ) − R 19.1 ° − CH 3 S has been studied by means of density functional calculations and atomistic first principles thermodynamics. The unreconstructed model and two recently proposed reconstructions have been considered. It is found that, in spite of significant differences in the atomic structure, the different surface models have a very similar surface free energy. It is claimed that the different ordered phases can coexist and that the appearance of one or another depends on the external preparation conditions.
Note: Reproducció del document publicat a:
It is part of: Physical Review Letters, 2006, vol. 97, num. 22, p. 226103
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ISSN: 0031-9007
Appears in Collections:Articles publicats en revistes (Ciència dels Materials i Química Física)

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