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中国物理学会期刊

Zn/GaAs(110)系统的表面弛豫及其对费密能级钉扎的影响

CSTR: 32037.14.aps.46.117

SURFACE RELAXATION AND ITS INFLUENCE ON THE-FERMI LEVEL PINNING OF Zn/GaAs(110)

CSTR: 32037.14.aps.46.117
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  • 在紧束缚近似下,利用自洽总能计算给出了Zn/GaAs(110)系统的表面几何结构.证明了低覆盖下Zn/GaAs(110)表面弛豫是一普遍现象,它对准确地描述费密能级钉扎位置十分重要.由于吸附Zn原子的高局域s轨道与表面Ga原子sp3悬挂键轨道的杂化,使成键态位于能隙中距价带顶0.73eV处.进一步给出了与其它元素吸附和清洁GaAs(110)表面的理论与实验结果之比较

     

    Under the tight-binding approximation, the geometric structure of the Zn/GaAs(110) surface is calculated by a self-consistent total energy method. It is found that the surface relaxation structure is a universal characteristic for low coverage adsorption, which is important in determining the Fermi level. The bonding states are pinned at 0.73eV above the top of the valence band by the covalent hybridization of the highly localized Zn s orbitals and the surface Ga sp3 dangling bonds. A comparison is made with theoretical and experimental results of free and other adsorbate GaAs(110) surfaces.

     

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