Research Papers in Physics and Astronomy


Date of this Version



PHYSICAL REVIEW B 85, 155435 (2012). DOI: 10.1103/PhysRevB.85.155435


Copyright (c) 2012 American Physical Society. Used by permission.


We present a comprehensive examination of the occupied surface-weighted band structure of Mo(112) along the two high-symmetry directions of the surface Brillouin zone, both from theoretical and experimental perspectives. The band structures are found to be significantly different for the states along the two high-symmetry directions and for the states with even and odd reflection parities with respect to the mirror planes. The present study suggests the existence of a number of surface-weighted bands along both high-symmetry directions. The complexity of the band structure near the Fermi level may impose potential difficulties in experimental determination of the electronphonon coupling parameters based on the effective mass enhancement distortion (or kink) in the energy-band dispersion, in the vicinity of the Fermi level, for several surface resonance bands of Mo(112).