The electronic structure and properties of Ag-Mg alloys
The electronic structures of [beta][prime]-AgMg and Ag[sub 3]Mg alloys have been investigated by a combination of photoelectron spectroscopy and first-principles band structure and photocurrent calculations. The study includes the first ever XPS and UPS measurements from the ordered and disordered phases of Ag[sub 3]Mg. The author concentrated mainly on measurements of the valence bands and the core level binding energies for these alloys and their parent metals. The band structures of the ordered alloys and pure metals have been calculated by the SCF-LMTO-ASA method, and the KKR and KKRCPA calculational schemes have been used in order to determine the electronic structures of both ordered and disordered phases of Ag[sub 3]Mg on an equal footing. For the purpose of interpreting the core level shifts due to alloying, a modified LMTO scheme has been applied, in a supercell geometry, to allow for relaxation effects. In addition, the author has shown that the Fermi surface topology may well be an important factor in determining the relative stability of the long period superlattice structure in Ag[sub 3]Mg. In general, the calculations are in very good agreement with the experimental results. The author concludes that the combination of theoretical calculations and photoemission measurements provides a detailed understanding of the electronic structures and the properties of Ag-Mg alloys.
- Research Organization:
- Florida Atlantic Univ., Boca Raton, FL (United States). Alloy Research Center
- OSTI ID:
- 7004024
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
664200* -- Spectra of Atoms & Molecules & their Interactions with Photons-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
ALLOY SYSTEMS
ALLOYS
BAND THEORY
BINARY ALLOY SYSTEMS
BINDING ENERGY
CURRENTS
DATA
ELECTRIC CURRENTS
ELECTRON SPECTROSCOPY
ELECTRONIC STRUCTURE
ENERGY
EXPERIMENTAL DATA
INFORMATION
MAGNESIUM ALLOYS
NUMERICAL DATA
PHASE STUDIES
PHOTOCURRENTS
PHOTOELECTRON SPECTROSCOPY
SILVER ALLOYS
SPECTROSCOPY
SUPERLATTICES
THEORETICAL DATA
VALENCE