Change search
ReferencesLink to record
Permanent link

Direct link
Electronic topological transitions and phase stability in the fcc Al-Zn alloys
KTH, Superseded Departments, Materials Science and Engineering.ORCID iD: 0000-0002-9920-5393
KTH, Superseded Departments, Materials Science and Engineering.
Show others and affiliations
2002 (English)In: European Physical Journal B: Condensed Matter Physics, ISSN 1434-6028, E-ISSN 1434-6036, Vol. 30, no 1, 57-66 p.Article in journal (Refereed) Published
Abstract [en]

We report on a detailed investigation of the phase equilibria and the Fermi surface in the Al-Zn system. Our calculation are based on the density functional theory and we use the linear muffin-tin orbital method and the Green's function technique. The calculated free energies of alloy formation exhibit the existence of a miscibility gap between the alloys containing approximately 10 and 55 at.% of Zn, in agreement with the phase diagram of the Al-Zn system. Seven electronic topological transitions (ETT) were found in Al-Zn system within the stability range of the fcc solid solution. A relation between these ETT and the phase stability of the fcc Al-Zn solid solutions is established. We show that extremum points on the concentration dependencies of the thermodynamic properties of Al-Zn alloys can be explained by band-filling effects.

Place, publisher, year, edition, pages
2002. Vol. 30, no 1, 57-66 p.
Keyword [en]
coherent-potential approximation, paramagnetic cucni1-c alloys, random, substitutional alloys, random metallic alloys, spinodal decomposition, first-principles, calculating properties, crystal-structure, fermi, surfaces, ag-pd
National Category
Condensed Matter Physics Metallurgy and Metallic Materials Physical Chemistry
URN: urn:nbn:se:kth:diva-22134DOI: 10.1140/epjb/e2002-00358-7ISI: 000179987800010OAI: diva2:340832
QC 20100525 NR 20140804Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2012-02-13Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Korzhavyi, Pavel A.Johansson, Börje
By organisation
Materials Science and Engineering
In the same journal
European Physical Journal B: Condensed Matter Physics
Condensed Matter PhysicsMetallurgy and Metallic MaterialsPhysical Chemistry

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 27 hits
ReferencesLink to record
Permanent link

Direct link