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On the phase stabil...
On the phase stability of CaCu5-type compounds
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- Boeije, M. F. J. (författare)
- Delft Univ Technol, Fundamental Aspects Mat & Energy, Fac Sci Appl, Mekelweg 15, NL-2629 JB Delft, Netherlands.
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- Delczeg-Czirjak, Erna Krisztina (författare)
- Uppsala universitet,Materialteori
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- van Dijk, N. H. (författare)
- Delft Univ Technol, Fundamental Aspects Mat & Energy, Fac Sci Appl, Mekelweg 15, NL-2629 JB Delft, Netherlands.
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- Eriksson, Olle, 1960- (författare)
- Uppsala universitet,Materialteori
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- Bruck, E. (författare)
- Delft Univ Technol, Fundamental Aspects Mat & Energy, Fac Sci Appl, Mekelweg 15, NL-2629 JB Delft, Netherlands.
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Delft Univ Technol, Fundamental Aspects Mat & Energy, Fac Sci Appl, Mekelweg 15, NL-2629 JB Delft, Netherlands Materialteori (creator_code:org_t)
- Elsevier BV, 2017
- 2017
- Engelska.
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Ingår i: Journal of Alloys and Compounds. - : Elsevier BV. - 0925-8388 .- 1873-4669. ; 722, s. 549-554
- Relaterad länk:
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- We present a hybrid method to inspect the phase stability of compounds having a CaCu5-type crystal structure. This is done using 2D stability plots using the Miedema parameters that are based on the work function and electron density of the constituent elements. Stable compounds are separated from unstable binary compounds, with a probability of 94%. For stable compounds, a linear relation is found, showing a constant ratio of charge transfer and electron density mismatch. DFT calculations show the same trend. Elements from the s, d, f-block are all reliably represented, elements from the p-block are still challenging.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Materialteknik -- Metallurgi och metalliska material (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering -- Metallurgy and Metallic Materials (hsv//eng)
Nyckelord
- Phase stability
- Miedema model
- CaCu5 prototype
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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