摘要The electronic density decay lengths of freestanding Pb films are investigated by first-principles calculations. The results show that, like surface energy and work function, the electronic density decay length λ exhibits pronounced oscillatory behavior as a function of film thickness and this is expected to have an impact on surface chemical reactivity. For freestanding Pb(111) films, λ oscillates following a bilayer pattern interrupted by crossovers, and the separation between two neighbor crossovers is 9 monolayers. For the films on Si(111) substrates, the oscillations of the decay lengths are similar to those of freestanding films except for an extra phase shift.
Abstract：The electronic density decay lengths of freestanding Pb films are investigated by first-principles calculations. The results show that, like surface energy and work function, the electronic density decay length λ exhibits pronounced oscillatory behavior as a function of film thickness and this is expected to have an impact on surface chemical reactivity. For freestanding Pb(111) films, λ oscillates following a bilayer pattern interrupted by crossovers, and the separation between two neighbor crossovers is 9 monolayers. For the films on Si(111) substrates, the oscillations of the decay lengths are similar to those of freestanding films except for an extra phase shift.
LI Meng;JIN Hong-Bo;LI Jin-Ming;SUN Qiang;JIA Yu**
. Electronic Density Decay Lengths of Pb Films from First Principles Calculations[J]. 中国物理快报, 2011, 28(4): 47302-047302.
LI Meng, JIN Hong-Bo, LI Jin-Ming, SUN Qiang, JIA Yu**
. Electronic Density Decay Lengths of Pb Films from First Principles Calculations. Chin. Phys. Lett., 2011, 28(4): 47302-047302.
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