First-principles calculations of metal surfaces. I. Slab-consistent bulk reference for convergent surface properties
Author:
Funder
U.S. Department of Energy
National Nuclear Security Administration
Laboratory Directed Research and Development
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.103.195426/fulltext
Reference34 articles.
1. Static quantum-size effects in thin crystalline, simple-metal films
2. Giant Friedel Oscillations on the Beryllium(0001) Surface
3. Nonconvergence of surface energies obtained from thin-film calculations
4. Extracting convergent surface energies from slab calculations
5. Extracting convergent surface formation energies from slab calculations
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