The surface band structure of W(112)

• Published in: Physica Status Solidi (b) Vol. 241; no. 4; pp. 829 - 839
• Main Authors: Losovyj, Ya. B., Yakovkin, I. N., Jeong, Hae-Kyung, Dowben, P. A.
• Format: Journal Article
• Language: English
• Published: Berlin WILEY-VCH Verlag 01-03-2004; WILEY‐VCH Verlag; Wiley
• Subjects: 71.20.Be; 73.20.At; 79.60.Bm; Exact sciences and technology; Physics; Photoelectron spectra; Band structure; Electronic structure; Valence; Bandwidth; Localization; Molybdenum; APW calculations; Surface structure
• ISSN: 0370-1972; 1521-3951
• DOI: 10.1002/pssb.200301963

Both the experimental and theoretical band structure of the W(112) surface are presented, with the theoretical band structure calculated by the film–LAPW (linearized augmented plane waves) method. The results permit one to compare the W(112) and Mo(112) band structures and illuminate the similarities. It is found that for the W(112) surface the main photoemission features combine contributions from both the surface and bulk, as has been previously noted for Mo(112). The main differences between the electronic structures of the furrowed W(112) and Mo(112) surfaces are seen in the width of occupied bands. The differences are attributed to the extent of localization of valence 4d and 5s electrons in Mo and 5d and 6s electrons in W. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)