The surface relaxation and band structure of Mo(112)

Ning Wu, Ya B. Losovyj, Zhaoxian Yu, R. F. Sabirianov, W. N. Mei, N. Lozova, J. A. Colón Santana, P. A. Dowben

Research output: Contribution to journalArticle

21 Scopus citations

Abstract

The experimental and theoretical surface band structures of Mo(112) are compared. This surface band structure mapping is presented with corrections included for the lattice relaxation of the Mo(112) surface. Quantitative low energy electron diffraction (LEED) has been used to determine the details of the Mo(112) surface structure. The first layer contraction is 14.9% by LEED intensity versus voltage analysis and is in general agreement with the 17.6% contraction found from total surface energy optimization. The electronic band structure is mapped out along - and - of the surface Brillouin zone (SBZ). There is strong evidence of electron-phonon coupling particularly in the region of the Fermi level band crossing at 0.54-1.

Original languageEnglish (US)
Article number474222
JournalJournal of Physics Condensed Matter
Volume21
Issue number47
DOIs
StatePublished - 2009

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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    Wu, N., Losovyj, Y. B., Yu, Z., Sabirianov, R. F., Mei, W. N., Lozova, N., Colón Santana, J. A., & Dowben, P. A. (2009). The surface relaxation and band structure of Mo(112). Journal of Physics Condensed Matter, 21(47), [474222]. https://doi.org/10.1088/0953-8984/21/47/474222