WFRF:(Alling Björn)
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- Alling, Björn,1980-Linköpings universitet,Teoretisk Fysik,Tekniska högskolan (author)
Effect of magnetic disorder and strong electron correlations on the thermodynamics of CrN
- Article/chapterEnglish2010
Publisher, publication year, extent ...
- American institute of physics,2010
- electronicrdacarrier
Numbers
- LIBRIS-ID:oai:DiVA.org:liu-60439
- https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-60439URI
- https://doi.org/10.1103/PhysRevB.82.184430DOI
Supplementary language notes
- Language:English
- Summary in:English
Part of subdatabase
- SwePubSwePub
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Notes
- Two different methods for the modeling of a magnetically disordered CrN stateusing a supercell approach are investigated. They are found to give equivalentresults of the total energy, being also similar to results obtained with an effectivemedium approach. Furthermore, CrN is shown to be better described using aLDA+U framework for the treatment of electron-electron correlations as comparedto GGA or LDA calculations. Modeling the cubic paramagnetic phase with ourmodels for magnetic disorder and considering the strong electron correlations, thetemperature and pressure induced phase transitions in CrN can be explained.
Subject headings and genre
- CrN
- magnetic disorder
- nitrides
- LDA+U
- SQS
- phase transition
- chromium compounds
- Magnetism
- Magnetism
Added entries (persons, corporate bodies, meetings, titles ...)
- Marten, TobiasLinköpings universitet,Teoretisk Fysik,Tekniska högskolan(Swepub:liu)tobma87 (author)
- Abrikosov, IgorLinköpings universitet,Teoretisk Fysik,Tekniska högskolan(Swepub:liu)igoab43 (author)
- Linköpings universitetTeoretisk Fysik (creator_code:org_t)
Related titles
- In:Physical Review B. Condensed Matter and Materials Physics: American institute of physics82, s. 184430-1098-01211550-235X
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