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

共 15 条

[11]

SLATER JC, 1969, PHYS REV, V179, P29

[12] INSTABILITY OF AN IONIC SLAB HAVING NACL STRUCTURE WITH FREE SURFACES NORMAL TO [110] DIRECTION [J].

SRINIVASAN, R ;

LAKSHMI, G .

SURFACE SCIENCE, 1974, 43 (02) :617-624

[13] THEORY OF THE SCANNING TUNNELING MICROSCOPE [J].

TERSOFF, J ;

HAMANN, DR .

PHYSICAL REVIEW B, 1985, 31 (02) :805-813

[14] 1ST-PRINCIPLES CALCULATION OF HIGHLY ASYMMETRIC STRUCTURE IN SCANNING-TUNNELING-MICROSCOPY IMAGES OF GRAPHITE [J].

TOMANEK, D ;

LOUIE, SG .

PHYSICAL REVIEW B, 1988, 37 (14) :8327-8336

[15] THEORY OF ELECTRONIC PROCESSES OF SCANNING TUNNELING MICROSCOPY [J].

TSUKADA, M ;

SHIMA, N .

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1987, 56 (08) :2875-2885

← 1 2 →