Fermi surface of Mo(112) and indirect interaction between adsorbed atoms

• Published in: Physical review. B, Condensed matter and materials physics Vol. 86; no. 12
• Main Authors: Yakovkin, Ivan N., Fukutani, Keisuke, Hayashi, Hirokazu, Jiang, Jian, Horike, Taiki, Nagata, Yorito, Habuchi, Takafumi, Hirayama, Daisuke, Iwasawa, Hideaki, Shimada, Kenya, Losovyj, Ya. B., Dowben, Peter A.
• Format: Journal Article
• Language: English
• Published: 04-09-2012
• Subjects: Condensed matter; Contours; Electropositivity; Fermi surfaces; Flattening; Furrows; Mathematical analysis; Surface chemistry
• ISSN: 1098-0121; 1550-235X
• DOI: 10.1103/PhysRevB.86.125401

A comprehensive examination of the Fermi surface of Mo(112) is presented. The Fermi surface contours for the Mo(112) surface, obtained by density functional theory calculations, agree well with the direct observations via angle-resolved photoemission spectroscopy and indicate the existence of flattened segments in the Fermi contours perpendicular to the direction of the atomic furrows. Both the calculation and the experiment indicate significant surface weight for these states. Such flattened Fermi contours at the surface can give rise to long-range charge density waves (CDW) and long-range indirect lateral interactions, especially in the case of adsorption of electropositive atoms. When mediated by the surface electrons, exhibiting flattened Fermi contours, the oscillatory potential of the indirect interaction between adsorbed atoms decays very slowly (~1/r) in the direction along the furrows, which can explain the formation of long-period chain structures of electropositive adsorbates on the furrowed surface of Mo(112).