EVIDENCE FOR POSSIBLE ELECTRONIC CONTRIBUTIONS TO THE W(001) SURFACE PHASE-TRANSITION

被引:80
作者
KRAKAUER, H
POSTERNAK, M
FREEMAN, AJ
机构
关键词
D O I
10.1103/PhysRevLett.43.1885
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
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. © 1979 The American Physical Society.
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页码:1885 / 1889
页数:5
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