Multilayer reconstruction and vibrational properties of W(001)

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Abstract

Results of all-electron total-energy calculations for the M»511- and M»510-induced reconstructions on W(001) demonstrate (1) a reconstructed c(2×2) subsurface layer with displacements about one-fourth of those of the surface atoms, and (2) a reconstruction energy, 60 meV per surface and subsurface atom pair for M»511, which is twice that found by considering only the surface layer. The characteristic frequency associated with the displaced subsurface atom is predicted to be rigid (30 meV) which may explain the surface phonon spectrum observed by electron-energy-loss spectroscopy.

Original languageEnglish
Pages (from-to)2685-2688
Number of pages4
JournalPhysical Review B
Volume37
Issue number5
DOIs
Publication statusPublished - 1988

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Multilayers
Atoms
atoms
Electron energy loss spectroscopy
surface layers
energy dissipation
electron energy
energy
spectroscopy
Electrons
electrons

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Multilayer reconstruction and vibrational properties of W(001). / Fu, C. L.; Freeman, Arthur J.

In: Physical Review B, Vol. 37, No. 5, 1988, p. 2685-2688.

Research output: Contribution to journalArticle

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