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中国物理学会期刊

Ag(111)和Au(111)上铋的初始生长行为

CSTR: 32037.14.aps.71.20211360

Initial growth behavior of bismuth on Ag(111) and Au(111)

CSTR: 32037.14.aps.71.20211360
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  • 半金属铋(Bi)的表面合金具有的Rashba效应, 和其具体结构性质有重要关联. 本文结合扫描隧道显微镜(STM)和密度泛函理论(DFT), 系统地研究了Bi原子在Ag(111)和Au(111)上的不同初始生长行为. 在室温Ag(111)上, 连续的Ag2Bi合金薄膜会优先在Ag台阶边缘形成; 在570 K Ag(111)上, 随着覆盖度增加到0.33 分子层(ML), Bi优先取代配位数低的台阶边原子并从单原子随机分布转变为长程有序的Ag2Bi合金相; 随着覆盖度增加, Ag2Bi通过退合金过程转变成 p\times \sqrt3 结构的Bi膜. Bi在室温和570 K的Au(111)上的生长行为一致: 在覆盖度低于0.40 ML时, Bi会优先吸附在配位为5的Au原子上, 并以单原子和团簇的形式分别分散在Au(111)的密堆积区域和鱼骨纹重构的拐角处; 随着覆盖度增加到0.60 ML, 无序的Bi会逐渐转变成长程有序的( \sqrt37\times \sqrt37 )相; Bi的吸附会导致Au(111)表面应力逐步释放. Bi在Ag(111)和Au(111)上的不同生长行为表明, Bi原子与衬底之间的相互作用起着关键作用.

     

    The Rashba effect of surface alloys of semimetallic bismuth (Bi) is strongly related to its specific structural properties. The initial growth behaviors of Bi atoms on Ag(111) substrate and Au(111) substrate are systematically investigated by combining scanning tunneling microscopy (STM) and density flooding theory (DFT) in this paper. Continuous Ag2Bi alloy films are formed preferentially at the step edge on Ag(111) held at room temperature; Bi atoms replace step edge atoms with low coordination number and are randomly distributed from single atoms to the forming of long-range ordered Ag2Bi alloy phase as the coverage increases to 0.33 ML on Ag(111) held at 570 K. With the coverage increasing, Ag2Bi is converted into Bi films with a p\times \sqrt3 structure by the dealloying process. In contrary to Ag(111), Bi growth behavior on Au(111) held at room temperature and at 570 K are consistent: Bi atoms are adsorbed preferentially on Au atom pairs with coordination 5 and are dispersed as single atoms and clusters in the densely packed region and the corners of the herringbone reconstruction when coverage level is below 0.40 ML; as the coverage level increases to 0.60 ML, the disordered Bi atoms gradually transform into the long-range ordered ( \sqrt37\times \sqrt37 ) phase. Moreover, the adsorption of Bi atoms leads the Au(111) surface strain to gradually release. The different growth behaviors of Bi atoms on Ag(111) substrate and Au(111) substrate suggest that the interaction between Bi atoms and the substrate plays a key role. Bi atoms are adsorbed preferentially around atoms with low surface coordination number under low coverage.

     

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