Evidence for possible electronic contributions to the W(001) surface phase transition

H. Krakauer; M. Posternak; Arthur J Freeman

doi:10.1103/PhysRevLett.43.1885

Evidence for possible electronic contributions to the W(001) surface phase transition

H. Krakauer, M. Posternak, Arthur J Freeman

Northwestern University

Research output: Contribution to journal › Article › peer-review

80 Citations (Scopus)

Abstract

The calculated surface generalized susceptibility, determined from ab initio self-consistent thin-film energy bands for the unreconstructed phase of W(001), displays a prominent peak at M̄ when matrix elements and local-field corrections are included and supports proposed charge-density-wave interpretations of the observed reconstruction to the c(2×2) phase. These results are consistent with the Debe and King parallel-shift model and the suggestion that W(001)c(2×2)-H at room temperature represents an impurity-stabilized substrate reconstruction.

Original language	English
Pages (from-to)	1885-1889
Number of pages	5
Journal	Physical Review Letters
Volume	43
Issue number	25
DOIs	https://doi.org/10.1103/PhysRevLett.43.1885
Publication status	Published - 1979

ASJC Scopus subject areas

Physics and Astronomy(all)

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AU - Freeman, Arthur J

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AB - The calculated surface generalized susceptibility, determined from ab initio self-consistent thin-film energy bands for the unreconstructed phase of W(001), displays a prominent peak at M̄ when matrix elements and local-field corrections are included and supports proposed charge-density-wave interpretations of the observed reconstruction to the c(2×2) phase. These results are consistent with the Debe and King parallel-shift model and the suggestion that W(001)c(2×2)-H at room temperature represents an impurity-stabilized substrate reconstruction.

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