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Theoretical Prediction and Synthesis of (Cr2/3Zr1/3)(2)AIC i-MAX Phase
Katholieke Univ Leuven, Belgium.
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0001-5036-2833
Katholieke Univ Leuven, Belgium; SCK CEN, Belgium.
Katholieke Univ Leuven, Belgium; SCK CEN, Belgium.
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2018 (English)In: Inorganic Chemistry, ISSN 0020-1669, E-ISSN 1520-510X, Vol. 57, no 11, p. 6237-6244Article in journal (Refereed) Published
Abstract [en]

Guided by predictive theory, a new compound with chemical composition (Cr2/3Zr1/3)(2)AlC was synthesized by hot pressing of Cr, ZrH2, Al, and C mixtures at 1300 degrees C. The crystal structure is monoclinic of space group C2/c and displays in-plane chemical order in the metal layers, a so-called i-MAX phase. Quantitative chemical composition analyses confirmed that the primary phase had a (Cr2/3Zr1/3)(2)AlC stoichiometry, with secondary Cr2AlC, AlZrC2, and ZrC phases and a small amount of Al-Cr intermetallics. A theoretical evaluation of the (Cr2/3Zr1/3)(2)AlC magnetic structure was performed, indicating an antiferromagnetic ground state. Also (Cr2/3Zr1/3)(2)AlC, of the same structure, was predicted to be stable.

Place, publisher, year, edition, pages
AMER CHEMICAL SOC , 2018. Vol. 57, no 11, p. 6237-6244
National Category
Inorganic Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-149874DOI: 10.1021/acs.inorgchem.8b00021ISI: 000434491700010PubMedID: 29749734OAI: oai:DiVA.org:liu-149874DiVA, id: diva2:1236416
Note

Funding Agencies|KU Leuven [PDM/16/140]; Hercules Foundation [ZW09-09, AKUL/1319]; Agency for Innovation by Science and Technology, Flanders, Belgium [131081]; European Atomic Energy Communitys Seventh Framework Programme FP7 [604862]; Swedish Foundation for Strategic Research through the Synergy Grant FUNCASE [KAW 2015.0043]; Knut and Alice Wallenberg (KAW) Foundation [KAW 2015.0043]; Swedish Research council [642-2013-8020]

Available from: 2018-08-02 Created: 2018-08-02 Last updated: 2018-08-02

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