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

M. Posternak, H. Krakauer, Arthur J Freeman

Research output: Contribution to journalArticle

36 Citations (Scopus)

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
Pages (from-to)755-761
Number of pages7
JournalPhysical Review B
Volume25
Issue number2
DOIs
Publication statusPublished - 1982

Fingerprint

Tungsten
Electronic structure
tungsten
electronic structure
Core levels
Tin
Surface states
Photoemission
Surface structure
Band structure
energy bands
interlayers
tin
surface layers
slabs
plane waves
photoelectric emission
spacing
magnetic permeability
shift

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Self-consistent electronic structure of the contracted tungsten (001) surface. / Posternak, M.; Krakauer, H.; Freeman, Arthur J.

In: Physical Review B, Vol. 25, No. 2, 1982, p. 755-761.

Research output: Contribution to journalArticle

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