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中国物理学会期刊

碱金属在GaAs(110)表面上的吸附

CSTR: 32037.14.aps.40.1840

ADSORPTION OF ALKALI METAL ON GaAs(110) SURFACE

CSTR: 32037.14.aps.40.1840
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  • 本文讨论Li,Na,K,Cs在GaAs(110)表面上的吸附,考虑理想表面和弛豫表面两种情况。计算采用集团模型,用电荷自洽的ExtendedHucheltheory(缩写为EHT)方法进行。结果表明,吸附后表面原子趋向于理想位置,碱金属原子位于垂直于表面沿001方向横跨表面Ga原子的对称平面上。碱金属吸附后的费密能级在价带顶以上约0.7eV处,是由表面Ga原子与碱金属原子间的相互作用决定的。而在价带中碱金属原子主要与表面As原子成键。

     

    In the present work, adsorptions of Li,Na,K,Cs on GaAs(llO) surface are studied. Both the ideal and the relaxed surface are considered. The calculations are carried out by using the charge self-consistent EHT method with a cluster model. The results indicate that the surface atoms tend to the ideal configuration after adsorption, and the alkali atom lies at the symmetric plane perpendicular to the surface and crossing the surface Ga atoms along the 001 direction. The Fermilevel is located about 0.7eV above the valence band maximum, which is contributed by the interaction between the surface Ga atoms and the alkali atom, while in the valence band, the alkali atom is bonded mostly with the surface As atoms.

     

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