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Strong electron correlations stabilize paramagnetic cubic Cr1-xAlxN solid solutions
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.ORCID iD: 0000-0002-2837-3656
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
2013 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 102, no 3Article in journal (Refereed) Published
Abstract [en]

The stability of rock salt structure cubic Cr1-xAlxN solid solutions at high Al content and high temperature has made it one of the most important materials systems for protective coating applications. We show that the strong electron correlations in a material with dynamic magnetic disorder is the underlying reason for the observed stability against isostructural decomposition. This is done by using the first-principles disordered local moments molecular dynamics technique, which allows us to simultaneously consider electronic, magnetic, and vibrational degrees of freedom.

Place, publisher, year, edition, pages
American Institute of Physics (AIP) , 2013. Vol. 102, no 3
National Category
Engineering and Technology
Identifiers
URN: urn:nbn:se:liu:diva-89520DOI: 10.1063/1.4788747ISI: 000314032600038OAI: oai:DiVA.org:liu-89520DiVA: diva2:608240
Note

Funding Agencies|Swedish Research Council (VR) Grant|621-2011-4417621-2010-3927621-2011-4426|European Research Council|227754|Swedish Foundation for Strategic Research (SSF) strategic Research Center MS2E|A3 05:192SRL10-0026|

Available from: 2013-02-26 Created: 2013-02-26 Last updated: 2017-12-06

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