Journal
PHYSICAL REVIEW B
Volume 74, Issue 11, Pages -Publisher
AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevB.74.113401
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We show from density-functional calculations that Pb(100) thin films exhibit quantum size effect with a bilayer periodicity in film energies, film relaxations, and work functions, which originate from different symmetry of the stacking geometry of odd and even layer films. This symmetry-driven quantum size effect on the film energy could allow for growth of magically thick even-layer Pb(100) films on an appropriate substrate. Furthermore, it is found that the quantum well states in a simple metal film can be classified into sigma-bonded and pi-bonded states, which quantize independently.
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