Multilayer-relaxed structure of the (1x2) Pt(110) surface

J. I. Lee, Arthur J Freeman, A. J. Freeman

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

The multilayer-relaxed structure and electronic properties of the (1x2) Pt(110) surface have been investigated by the self-consistent all-electron full-potential linearized augmented plane-wave method. The relaxed geometry, determined by total energy and atomic force calculations, shows large contractions in the first and second interlayer spacings, significant buckling in the third layer, and a lateral displacement in the fourth (center) layer of the slab. In general, our calculated results are consistent with experimental data. The microscopic origin of the relaxed structure is discussed using the calculated electronic structures. The large inward relaxation of the surface atoms is attributed to the more localized nature of their 5d electrons, which weakens the d-d hybridization.

Original languageEnglish
Pages (from-to)1673-1676
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume59
Issue number3
Publication statusPublished - 1999

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laminates
Multilayers
Electrons
buckling
Electronic properties
contraction
Buckling
Electronic structure
interlayers
slabs
plane waves
electrons
spacing
electronic structure
Atoms
Geometry
geometry
electronics
atoms
energy

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Multilayer-relaxed structure of the (1x2) Pt(110) surface. / Lee, J. I.; Freeman, Arthur J; Freeman, A. J.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 59, No. 3, 1999, p. 1673-1676.

Research output: Contribution to journalArticle

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