Strong electron correlations stabilize paramagnetic cubic Cr1-xAlxN solid solutions
2013 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 102, no 3Article in journal (Refereed) Published
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
Engineering and Technology
IdentifiersURN: urn:nbn:se:liu:diva-89520DOI: 10.1063/1.4788747ISI: 000314032600038OAI: oai:DiVA.org:liu-89520DiVA: diva2:608240
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|2013-02-262013-02-262016-08-31