TiC(100) surface relaxation studied with low-energy electron diffraction intensity analysis

被引：29

作者：

Tagawa, M

Okuzawa, M

Kawasaki, T

Oshima, C

Otani, S

Nagashima, A

机构：

[1] Waseda Univ, Dept Appl Phys, Shinjuku Ku, Tokyo 169, Japan

[2] Tokyo Inst Technol, Dept Phys, Meguro Ku, Tokyo 152, Japan

来源：

PHYSICAL REVIEW B | 2001年 / 63卷 / 07期

关键词：

D O I：

10.1103/PhysRevB.63.073407

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The atomic structure of TiC(100) was determined precisely by low-energy electron diffraction intensity analysis. The surface atomic structure is relaxed; the topmost C atoms are displaced outward and Ti atoms inward with respect to the truncated bulk atomic positions. The results agree qualitatively with earlier theoretical work [D. L. Price, J. M. Wills, and B. R. Cooper, Phys. Rev. Lett. 77, 3375 (1996)] and quantitatively with the latest theoretical results based on the first-principles molecular dynamics method [K. Kobayashi, Jpn. J. Appl. Phys., Part 1 39, 4311 (2000)].

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