Ning Wu et al 2009 J. Phys.: Condens. Matter 21 474222 doi:10.1088/0953-8984/21/47/474222
The surface relaxation and band structure of Mo(112)
Ning Wu1, Ya B Losovyj1,2, Zhaoxian Yu3, R F Sabirianov4, W N Mei4, N Lozova2, J A Colón Santana1 and P A Dowben1,5
Show affiliationsThe 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 Å−1.
- PACS
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73.20.At Surface states, band structure, electron density of states
71.20.Be Transition metals and alloys
- Subjects
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Condensed matter: electrical, magnetic and optical
- Dates
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Issue 47 (25 November 2009)
Received 4 May 2009
Published 5 November 2009
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The surface relaxation and band structure of Mo(112)
Ning Wu et al 2009 J. Phys.: Condens. Matter 21 474222
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