THEORY OF STM IMAGES OF MONOLAYER GRAPHITE ON TRANSITION-METAL SURFACE

被引：13

作者：

KOBAYASHI, K ^{[1
]}

SOUZU, Y ^{[1
]}

ISSHIKI, N ^{[1
]}

TSUKADA, M ^{[1
]}

机构：

[1] KAO CORP, KAO INST KNOWLEDGE & INTELLIGENCE SCI, SUMIDA KU, TOKYO 131, JAPAN

来源：

APPLIED SURFACE SCIENCE | 1992年 / 60-1卷

关键词：

D O I：

10.1016/0169-4332(92)90457-9

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：

A first-principles band calculation is performed on monolayer graphite on a TiC(111) surface. Occupied pi bands of the monolayer graphite are similar to those of a bulk graphite and are lowered by 2 eV. Unoccupied pi* bands are largely affected and split into bonding and antibonding bands due to a hybridization effect with d-bands of top-layer Ti. A calculated local density of states shows a 2 x 2 superstructure of graphite lattice, which explains the shorter period of the moire pattern observed in scanning tunneling microscopy.

引用

页码：443 / 447

页数：5

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