New view of the occupied band structure of Mo(112)

• Published in: Physical review. B, Condensed matter and materials physics Vol. 85; no. 15
• Main Authors: Fukutani, Keisuke, Hayashi, Hirokazu, Yakovkin, Ivan N., Paudel, Tula R., Habuchi, Takafumi, Hirayama, Daisuke, Jiang, Jian, Iwasawa, Hideaki, Shimada, Kenya, Wu, Ning, Tsymbal, Evgeny Y., Losovyj, Ya. B., Dowben, P. A.
• Format: Journal Article
• Language: English
• Published: 19-04-2012
• Subjects: Band structure of solids; Bands; Condensed matter; Dispersions; Distortion; Fermi level; Fermi surfaces; Reflection
• ISSN: 1098-0121; 1550-235X
• DOI: 10.1103/PhysRevB.85.155435

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 electron-phonon 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).