Details

Autor(en) / Beteiligte

• Jordan, RG
• Liu, Y
• Qiu, SL
• Ginatempo, B
• Bruno, E
• Stocks, GM
• Shelton, WA

Titel

Electronic structures of disordered Ag-Mg alloys

Ist Teil von

• Physical review. B, Condensed matter, 1994-10, Vol.50 (16), p.11459-11465

Ort / Verlag

United States

Erscheinungsjahr

1994

Quelle

American Physical Society [PROLA]

Beschreibungen/Notizen

• We have calculated the electronic structures of the valence bands in a series of [alpha]-phase (disordered fcc) Ag-Mg alloys over the range 0--30 at. % Mg using the Korringa-Kohn-Rostoker method within the coherent potential approximation (KKR-CPA). We find that the variation of the equilibrium lattice constant with composition is in good agreement with experimental measurements. The bandwidth of the Ag-related [ital d] states decreases with the addition of Mg although the position of the bottom of the band remains roughly fixed in energy with respect to the Fermi level; an observation that is consistent with photoemission measurements. The electronic spectral densities are very sharply peaked at the Fermi energy with widths that are [lt]1% of the Brillouin zone dimension and so the Fermi surfaces of the alloys are well defined throughout the zone. The radius of the neck at the [ital L] point and the belly radii in the [Gamma][ital X] and [Gamma][ital K] direction increases approximately linearly with increasing Mg content. Taking into account some previous work on the origin of the short range order in Ag-rich alloys, we conclude that the local-density approximation KKR-CPA method provides a realistic description of the electronic structure in [alpha]-phase [ital Ag]-Mg alloys.