First-principles phonon and multiple-scattering electron-energy-loss-spectra studies of Cu(111) and Ag(111)

Journal Article · Mon Feb 01 04:00:00 EST 1993 · Physical Review Letters; (United States)

DOI:https://doi.org/10.1103/PhysRevLett.70.603· OSTI ID:7187813

Chen, Y; Tong, S Y ^[1]; Bohnen, K P; Rodach, T ^[2]; Ho, K M ^[3]

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1. Laboratory for Surface Studies and Department of Physics, University of Wisconsin-Milwaukee, Milwaukee, Wisconsin 53201 (United States)
2. Kernforschungszentrum Karlsruhe G.m.b.H., Institut fuer Nukleare Festkoerperphysik, Postfach 3640, Karlsruhe (Germany)
3. Ames Laboratory and Department of Physics, Iowa State University, Ames, Iowa 50011 (United States)

Parameter-free first-principles phonon calculations are used in conjunction with multiple-scattering electron-energy-loss calculations to reveal new localized modes on Cu(111) and Ag(111). The discovery of these [ital z]-polarized localized modes along [bar [Gamma]] [ital [bar M]] and [bar [Gamma]] [ital [bar K]] provides for the first time good agreement between theory and all the existing helium-atom-scattering and electron-energy-loss experimental results. The new results indicate that it is not necessary to evoke exotic models such as anomalous surface dynamical effects on these densely packed surfaces.

• DOE Contract Number: FG02-84ER45076; W-7405-ENG-82
• OSTI ID: 7187813
• Journal Information: Physical Review Letters; (United States), Journal Name: Physical Review Letters; (United States) Vol. 70:5; ISSN 0031-9007; ISSN PRLTAO
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360103 -- Metals & Alloys-- Mechanical Properties
360104* -- Metals & Alloys-- Physical Properties
COPPER
DISPERSION RELATIONS
ELASTICITY
ELECTRON SPECTROSCOPY
ELEMENTS
ENERGY LOSSES
LOSSES
MECHANICAL PROPERTIES
METALS
MULTIPLE SCATTERING
PHONONS
QUASI PARTICLES
SCATTERING
SILVER
SPECTROSCOPY
SURFACE PROPERTIES
TENSILE PROPERTIES
TRANSITION ELEMENTS