Surface phonons of LaB6(100): deformation of boron octahedra at the surface

Nagao Tadaaki, Kitamura Kazuo, Iizuka Yoshitaka, Oshima Chuhei, Shigeki Otani

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Abstract

The surface phonon dispersion of clean LaB6(100) surface has been measured by means of high resolution electron energy loss spectroscopy. Eight vibrational modes, of which most are located in the energy gaps between the bulk phonon bands, have been detected. The lattice dynamical calculation of a slab-shaped crystal based on a force constant model has reproduced these experimental dispersion curves, which indicates the large increase in the force constant of interoctahedral boron-boron bond at the surface by 25%, and the large decrease in the force constants of intraoctahedral boron-boron bonds at the surface by 25-50%. These changes together with the analysis of the bulk phonon structure of metal hexaborides strongly suggest that the boron octahedra at the surface are expanded by about 0.004 nm parallel to the surface.

Original languageEnglish
Pages (from-to)436-444
Number of pages9
JournalSurface Science
Volume290
Issue number3
DOIs
Publication statusPublished - 1993 Jun 20

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ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Condensed Matter Physics
  • Surfaces and Interfaces

Cite this

Tadaaki, N., Kazuo, K., Yoshitaka, I., Chuhei, O., & Otani, S. (1993). Surface phonons of LaB6(100): deformation of boron octahedra at the surface. Surface Science, 290(3), 436-444. https://doi.org/10.1016/0039-6028(93)90726-Z