Multilayer lattice relaxation at metal surfaces

Journal Article · Sun May 15 04:00:00 EDT 1983 · Phys. Rev. B: Solid State; (United States)

DOI:https://doi.org/10.1103/PhysRevB.27.6534· OSTI ID:6924315

Barnett, R N; Landman, U; Cleveland, C L

Relaxation at simple metal surfaces is studied via minimization of the total energy of a semi-infinite crystal. Systematic analysis of the contributions to the total energy demonstrates the importance of a proper, three-dimensional treatment of electronic response. Multilayer relaxation is shown to be essential for quantitative predictions. Results for the low-index faces of Na and for Al(110) are presented. Good agreement with detailed low-energy electron diffraction data for oscillatory multilayer relaxation in Al(110) is obtained.

• Research Organization: Georgia Inst. of Tech., Atlanta
• OSTI ID: 6924315
• Journal Information: Phys. Rev. B: Solid State; (United States), Journal Name: Phys. Rev. B: Solid State; (United States) Vol. 27:10; ISSN PLRBA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
656000 -- Condensed Matter Physics
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALKALI METALS
ALUMINIUM
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DATA
ELEMENTS
ENERGY DEPENDENCE
INFORMATION
METALS
NUMERICAL DATA
RELAXATION
SODIUM
SURFACE PROPERTIES
THEORETICAL DATA
THREE-DIMENSIONAL CALCULATIONS