Exceptional surface stability in late transition metal alloys driven by lattice strain

L. Vitos, M. Ropo, K. Kokko, M. P J Punkkinen, J. Kollár, B. Johansson

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Due to the lower compressibility of the close-packed crystallographic planes compared to the less close-packed ones, the open free surfaces of the late transition and noble metals are generally expected to become thermodynamically stable with increasing pressure. Surface segregation in concentrated alloys and heteroepitaxial growth are possible mechanisms to create additional lattice strain around the surface layer and, thus, alter the surface stability at ambient conditions. Here we demonstrate this phenomenon in the case of PdAg random alloys by performing ab initio density functional calculations for the surface energy and stress. Our findings reveal anomalous surface stability, so far experienced only in some magnetic transition metals, and exceptionally large excess surface stress as an indicator for surface reconstruction.

Original languageEnglish
Article number121401
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume77
Issue number12
DOIs
Publication statusPublished - Mar 6 2008

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Transition metal alloys
surface stability
transition metals
Transition metals
magnetic metals
Surface segregation
noble metals
Surface reconstruction
compressibility
surface energy
surface layers
Precious metals
Compressibility
Epitaxial growth
Interfacial energy
Crystal lattices
Density functional theory

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Exceptional surface stability in late transition metal alloys driven by lattice strain. / Vitos, L.; Ropo, M.; Kokko, K.; Punkkinen, M. P J; Kollár, J.; Johansson, B.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 77, No. 12, 121401, 06.03.2008.

Research output: Contribution to journalArticle

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