Regular Article

Atomic and electronic structures of Sn covered W(110) surface

¹ Department of Physics, Gazi University, 06500 Ankara, Turkey
² Photonics Application and Research Center, Gazi University, 06500 Ankara, Turkey
³ School of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL, UK

^a e-mail: c.tayran@gazi.edu.tr

Received: 14 August 2019
Received in final form: 19 November 2019
Published online: 23 January 2020

Abstract

The effects of spin-orbit coupling on the atomic and electronic structures of clean W(110) surface and Sn deposited W(110) surface are studied using the Density Functional Theory. While the relaxed atomic geometry remains unaffected, there are changes in the surface electronic states with the inclusion of spin-orbit coupling. For the clean W(110) surface, we have identified a total of three surface and one resonance states, and discussed the anisotropic behaviour of Dirac-like states. With increasing Sn monolayer coverages on the W(110)-(1×4) slab, the Dirac-like cone behaviour is found to progressively distort, and Sn-derived states develop. For a (1×1) prototypical model of monolayer Sn coverage, we have calculated the maximum splittings of 0.10 eV and 0.52 eV for the two surface states characterised mainly by the W 3d_5∕2 and W 3d_3∕2 orbitals.