Sökning: id:"swepub:oai:DiVA.org:liu-58288" >
Stability trends of...
Stability trends of MAX phases from first principles
-
- Dahlqvist, Martin (författare)
- Linköpings universitet,Tunnfilmsfysik,Tekniska högskolan
-
- Alling, Björn (författare)
- Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
-
- Rosén, Johanna (författare)
- Linköpings universitet,Tunnfilmsfysik,Tekniska högskolan
-
(creator_code:org_t)
- American Physical Society, 2010
- 2010
- Engelska.
-
Ingår i: Physical Review B. Condensed Matter and Materials Physics. - : American Physical Society. - 1098-0121 .- 1550-235X. ; 81:22, s. 220102-
- Relaterad länk:
-
https://liu.diva-por... (primary) (Raw object)
-
visa fler...
-
https://urn.kb.se/re...
-
https://doi.org/10.1...
-
visa färre...
Abstract
Ämnesord
Stäng
- We have developed a systematic method to investigate the phase stability of M(n+1)AX(n) phases, here applied for M=Sc, Ti, V, Cr, or Mn, A=Al, and X=C or N. Through a linear optimization procedure including all known competing phases, we identify the set of most competitive phases for n=1-3 in each system. Our calculations completely reproduce experimental occurrences of stable MAX phases. We also identify and suggest an explanation for the trend in stability as the transition metal is changed across the 3d series for both carbon- and nitrogen-based systems. Based on our results, the method can be used to predict stability of potentially existing undiscovered phases.
Nyckelord
- TECHNOLOGY
- TEKNIKVETENSKAP
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas