Self-consistent electronic structure of the contracted tungsten (001) surface
- 15 January 1982
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 25 (2), 755-761
- https://doi.org/10.1103/physrevb.25.755
Abstract
Self-consistent linearized-augmented-plane-wave energy-band studies using the warped muffin-tin approximation for a seven-layer W(001) single slab with the surface-layer separation contracted by 6% of the bulk interlayer spacing are reported. Surface electronic structure, local densities of states, generalized susceptibility for the surface, work function, and core-level shifts are found to have insignificant differences with corresponding results for the unrelaxed surface. Several differences in surface states between theory and recent angle-resolved photoemission experiments are discussed in the light of new proposed models of the actual unreconstructed surface structure at high temperatures.Keywords
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