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Article

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Published version

Publication date

2006-11-30

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Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/140508

Evidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3S

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https://doi.org/10.1103/PhysRevLett.97.226103

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.

Subject

Termodinàmica, Estructura atòmica

Subject (English)

Thermodynamics, Atomic structure

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Articles publicats en revistes (Ciència dels Materials i Química Física)

Citation

TORRES, D., et al. Evidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3S. Physical Review Letters. 2006. Vol. 97, num. 22, pags. 226103. ISSN 0031-9007. [consulted: 9 of June of 2026]. Available at: https://hdl.handle.net/2445/140508

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