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Electronic topologi...
Electronic topological transitions and phase stability in the fcc Al-Zn alloys
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Smirnova, E. A. (författare)
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- Korzhavyi, Pavel A., 1966- (författare)
- KTH,Materialvetenskap
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Vekilov, Y. K. (författare)
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visa fler...
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- Johansson, Börje (författare)
- KTH,Materialvetenskap
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Abrikosov, I. A. (författare)
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visa färre...
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(creator_code:org_t)
- Springer Science and Business Media LLC, 2002
- 2002
- Engelska.
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Ingår i: European Physical Journal B. - : Springer Science and Business Media LLC. - 1434-6028 .- 1434-6036. ; 30:1, s. 57-66
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- 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.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
- TEKNIK OCH TEKNOLOGIER -- Materialteknik -- Metallurgi och metalliska material (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering -- Metallurgy and Metallic Materials (hsv//eng)
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
Nyckelord
- 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
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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