ELECTRONIC STATES AND SCANNING TUNNELING SPECTROSCOPY IMAGE OF MONOLAYER GRAPHITE ON A NICKEL(111) SURFACE BY THE DV-X-ALPHA METHOD

被引：28
|
作者：
SOUZU, Y
TSUKADA, M
机构：
[1] Department of Physics, Faculty of Science, University of Tokyo, Bunkyo-Ku, Tokyo, 113
来源：
SURFACE SCIENCE | 1995年 / 326卷 / 1-2期
关键词：
D O I：
10.1016/0039-6028(94)00558-3
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：
The electronic structure of monolayer graphite formed on a Ni(111) surface is studied using the LCAO discrete variational X alpha (DV-X alpha) method. As the results of numerical calculation, we found splitting of graphite rr bands and strong orbital mixing with the substrate at the K point, and about 0.8 eV raising of the Fermi level. This band splitting is predicted to cause an interesting effect on scanning tunneling microscopy (STM) images.
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页码：42 / 52
页数：11
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