高覆盖度下Pb覆盖层的量子尺寸效应
Quantum size effects of Pb overlayers at high coverages
AI总结：
本研究通过第一性原理和模型计算，发现Pb(111)薄膜在高达60个单层厚度下仍存在量子尺寸效应，其能量调制源于两个相近费米波长的嵌套。
摘要：
我们利用从头算第一性原理和模型计算，研究了厚度高达60个单层（MLs）的Pb薄膜。在Pb(111)薄膜中，我们测量到对应于能量调制振荡图案的幻数高度，直至约30个单层。我们证明，由于金属薄膜能量随原子层数变化出现额外的第二调制图案，这种行为即使在更高厚度下仍持续存在。该第二调制的起源是(111)方向上两个相近费米波长的嵌套。
英文摘要：
We have studied Pb thin films as a function of the thickness up to 60 monolayers (MLs) using ab initio first principles and model calculations. Magic heights corresponding to a modulated oscillatory pattern of the energy of Pb(111) films have been measured up to about 30 MLs. We demonstrate that this behaviour continues even for higher thickness due to an extra second modulation pattern in the energetics of the metal film as a function of the number of atomic layers. The origin of this second modulation is the nesting of two close values of the Fermi wavelength in the (111) direction.
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