TMC(100) surface relaxation studied with low-energy-electron-diffraction intensity analysis
TMC(100) surface relaxation studied with low-energy-electron-diffraction intensity analysis
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DOI：
10.1016/s0039-6028(02)01913-1
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发表时间：
2002-10
期刊：
影响因子：
1.9
通讯作者：
M. Tagawa;T. Kawasaki;C. Oshima;S. Otani;K. Edamoto;A. Nagashima
中科院分区：
文献类型：
--
作者：
M. Tagawa;T. Kawasaki;C. Oshima;S. Otani;K. Edamoto;A. Nagashima
用低能电子衍射强度分析精确确定了TiC(100)的原子结构。表面原子结构松弛；相对于截断的主体原子位置，最上面的C原子向外移动，而钛原子向内移动。其结果与早期的理论工作定性地一致[DL Price，JM Wills，和BR Cooper，Phys.莱特牧师。77,3375(1996)]和基于第一原理分子动力学方法的最新理论结果[K.Kobayashi，Jpn.J.Appl.物理，第1部39,4311(2000)]。
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 [DL Price, JM Wills, and BR 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)].