Theory of quantum size effects in thin Pb(111) films

被引:252
作者
Wei, CM [1 ]
Chou, MY
机构
[1] Acad Sinica, Inst Phys, Taipei 11529, Taiwan
[2] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA
来源
PHYSICAL REVIEW B | 2002年 / 66卷 / 23期
关键词
D O I
10.1103/PhysRevB.66.233408
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We have carried out first-principles calculations of Pb (111) films up to 25 monolayers to study the oscillatory quantum size effects exhibited in the surface energy and work function. These oscillations are correlated with the thickness dependence of the energies of confined electrons, which can be properly modeled by an energy-dependent phase shift of the electronic wave function upon reflection at the interface. It is found that a quantitative description of these quantum size effects requires a full consideration of the crystal band structure.
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页码:1 / 4
页数:4
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