Strong Quantum Size Effects in Pb(111) Thin Films Mediated by Anomalous Friedel Oscillations
- ORNL
- Peking University
- Zhengzhou University, China
- University of Tennessee, Knoxville (UTK)
Using first-principles calculations within density functional theory, we study Friedel oscillations (FOs) in the electron density at different metal surfaces and their influence on the lattice relaxation and stability of ultrathin metal films.We show that the FOs at the Pb(111) surface decay as 1=x with the distance x from the surface, different from the conventional 1=x2 power law at other metal surfaces. The underlying physical reason for this striking difference is tied to the strong nesting of the two different Fermi sheets along the Pb(111) direction. The interference of the strong FOs emanating from the two surfaces of a Pb(111) film, in turn, not only results in superoscillatory interlayer relaxations around the center of the film, but also determines its stability in the quantum regime. As a simple and generic picture, the present findings also explain why quantum size effects are exceptionally robust in Pb(111) films.
- Research Organization:
- Oak Ridge National Laboratory (ORNL)
- Sponsoring Organization:
- SC USDOE - Office of Science (SC)
- DOE Contract Number:
- AC05-00OR22725
- OSTI ID:
- 984794
- Journal Information:
- Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 6 Vol. 105; ISSN 1079-7114; ISSN 0031-9007
- Country of Publication:
- United States
- Language:
- English
Similar Records
Surface Relaxations in Quantum Confined Pb
Quantum size effects in metal films: Energies and charge densities of Pb(111) grown on Cu(111)