THEORY OF STM IMAGES OF CDW IN TRANSITION-METAL DICHALCOGENIDES

被引：17
|
作者：
KIKUCHI, A
TSUKADA, M
机构：
[1] Department of Physics, Graduate School of Science, University of Tokyo, Bunkyo-ku, Tokyo, 113
来源：
SURFACE SCIENCE | 1995年 / 326卷 / 1-2期
关键词：
DENSITY FUNCTIONAL CALCULATIONS; SCANNING TUNNELING MICROSCOPY; SCANNING TUNNELING SPECTROSCOPIES; SINGLE CRYSTAL SURFACES; TRANSITION-METAL DICHALCOGENIDES; TUNNELING;
D O I：
10.1016/0039-6028(94)00745-4
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) images of charge density waves (CDW) in transition-metal dichalcogenides 2H-NbSe2 and 1T-TaS2 are theoretically simulated. The results of first-principles band calculations are applied to the mean-field approximation model for commensurate CDW in order to determine the electronic structure. The STM/STS spectrum is numerically simulated through the surface local density of states (LDOS) and the in influence by the strength of the effective potential or the bias voltages is investigated. The obtained results suggest a sensitive bias voltage dependence of the STS spectrum of the CDW.
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页码：195 / 207
页数：13
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