Structural investigations of Al 5 Co 2 (2 1 ̄ 0 ) and (100) surfaces: Influence of bonding strength and annealing temperature on surface terminations
Structural investigations of Al 5 Co 2 (2 1 ̄ 0 ) and (100) surfaces: Influence of bonding strength and annealing temperature on surface terminations
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Al 5 Co 2 (2 1 ̄ 0 ) 和 (100) 表面的结构研究：键合强度和退火温度对表面终止的影响
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发表时间：
2016
期刊：
影响因子：
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通讯作者：
É. Gaudry
中科院分区：
文献类型：
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作者：
M. Meier;J. Ledieu;M. Weerd;V. Fournée;É. Gaudry
本文用实验超高真空技术和从头计算方法对Al5Co2的(2-10)和(100)表面进行了结构研究。这两个表面都被识别出来，并显示出只剩下特定原子的整体终止。这些原子可以被视为化学键原子基序的截断部分，这些原子基序在以前的工作中已经被大量确定[M.Meier等人，物理。B 91版，
085414(2015年)]。虽然(2-10)表面呈现单一终止，但(100)最顶层的结构高度依赖于制备条件，特别是热处理温度。在先前研究的(001)表面上也观察到了这种行为，当考虑截断的模体部分与次表面的结合强度时，可以部分解释这种行为
Structural investigations of the (2-10) and (100) surfaces of Al5Co2 using experimental ultrahigh vacuum techniques and ab initio computational methods are presented in this work. Both surfaces are identified and show bulk terminations where only specific atoms remain. These atoms can be seen as truncated parts of chemically bonded atomic motifs which have been identified in the bulk in a previous work [M. Meier et al., Phys. Rev. B 91,
085414 (2015)]. Whereas the (2-10) surface presents a single termination, the structure of the (100) topmost layers is found to be highly dependent on the preparation conditions, especially on the annealing temperature. This behavior, also observed for the (001) surface studied previously, can be partly explained when considering the bonding strength of the truncated motif parts with the subsurface