Limits of perturbation theory: first principles simulations of scanning tunneling microscopy scans on Fe(100)

被引：27

作者：

Hofer, WA

Redinger, J

Biedermann, A

Varga, P

机构：

[1] Ctr Computat Mat Sci, A-1060 Vienna, Austria

[2] Inst Allgemeine Phys, A-1040 Vienna, Austria

来源：

SURFACE SCIENCE | 2000年 / 466卷 / 1-3期

基金：

奥地利科学基金会;

关键词：

density functional calculations; iron; magnetic surfaces; tunneling;

D O I：

10.1016/S0039-6028(00)00821-9

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Scanning tunneling microscopy (STM) scans on Fe(100) are compared with first principles calculations of the tunneling current based on the transfer Hamiltonian method. Experimentally, we find a reversal of corrugation for separations between sample and tip below 400 pm. In the simulations we can reproduce these topographies only in a distance range above 400 pm. The approach therefore fails to describe the observed corrugation reversal. We suggest that this failure is due to the quenching of surface states by the approaching STM tip. (C) 2000 Elsevier Science B.V. All rights reserved.

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收藏

页码：L795 / L801

页数：7

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