Self-consistent electronic structure of the contracted tungsten (001) surface

M. Posternak*, H. Krakauer, Arthur J Freeman

*Corresponding author for this work

Research output: Contribution to journalArticle

36 Scopus citations

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.

Original languageEnglish (US)
Pages (from-to)755-761
Number of pages7
JournalPhysical Review B
Volume25
Issue number2
DOIs
StatePublished - Jan 1 1982

ASJC Scopus subject areas

  • Condensed Matter Physics

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