| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Electronic Density Decay Lengths of Pb Films from First Principles Calculations |
| LI Meng1, JIN Hong-Bo1, LI Jin-Ming1,2, SUN Qiang1, JIA Yu1**
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1School of Physics and Engineering, Zhengzhou University, Zhengzhou 450052
2Department of Physics, Henan Institute of Education, Zhengzhou 450053
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| Cite this article: |
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LI Meng, JIN Hong-Bo, LI Jin-Ming et al 2011 Chin. Phys. Lett. 28 047302 |
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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.
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| Keywords:
73.21.Fg
75.15.Mb
82.65.+h
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Received: 12 October 2010
Published: 29 March 2011
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