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中国物理学会期刊

Ni(100)面上吸附原子的间接相互作用能

CSTR: 32037.14.aps.38.1864

INDIRECT INTERACTION BETWEEN ADATOMS ON Ni(100) SURFACE

CSTR: 32037.14.aps.38.1864
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  • 本文用紧束缚模型和单电子理论研究吸附原子间的间接相互作用能。讨论杂质的影响,发现掺杂Cu使相互作用能的峰值增大,峰的位置向耦合强度较大的方向移动;而掺杂Co情况则正好相反。利用相互作用能随吸附原子相对位置的变化,很好地解释了H和O在Ni(100)面上吸附时的层结构。还发现相互作用随耦合强度的减少呈现振荡衰减的趋势。

     

    The indirect interaction between adatoms are studied by using tight-binding model and one-electron theory. We found that the introduction of impurity atom Cu makes the peak value of the interaction energies to increase, and the introduction of Co makes that value tp decrease. Using the relation between the indirect interaction energies and the relative positions of the adatoms, we explain the structure of H or O monolayer chemisorbed on Ni(l00). In addition, it is found that the interaction energies have a damped oscillation behaviour with the decrease of the coupling strength between the adatoms and the host atoms.

     

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