Asymmetric structure of the Si(111)-√3 x √3-Ag surface

被引：147

作者：

Aizawa, H ^{[1
]}

Tsukada, M ^{[1
]}

Sato, N ^{[1
]}

Hasegawa, S ^{[1
]}

机构：

[1] Univ Tokyo, Grad Sch Sci, Dept Phys, Bunkyo Ku, Tokyo 1130033, Japan

来源：

SURFACE SCIENCE | 1999年 / 429卷 / 1-3期

关键词：

density functional calculations; metal-semiconductor interfaces; scanning tunneling microscopy; silicon; silver; surface relaxation and reconstruction;

D O I：

10.1016/S0039-6028(99)00424-0

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 atomic and electronic structures of the Si(111)-root 3 x root 3-Ag surface are studied by first-principles calculations based on the density functional theory. It is found that a structural model consisting of two inequivalent Ag triangles is energetically more favorable than the well-established honeycomb-chained-triangle (HCT) model. The new structure should yield an empty-state STM image with a hexagonal-lattice pattern, rather than a honeycomb pattern, which is confirmed by low-temperature STM observations. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：L509 / L514

页数：6

共 21 条

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