Theoretical Prediction and Synthesis of (Cr2/3Zr1/3)(2)AIC i-MAX PhaseVisa övriga samt affilieringar
2018 (Engelska)Ingår i: Inorganic Chemistry, ISSN 0020-1669, E-ISSN 1520-510X, Vol. 57, nr 11, s. 6237-6244Artikel i tidskrift (Refereegranskat) 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.
Ort, förlag, år, upplaga, sidor
AMER CHEMICAL SOC , 2018. Vol. 57, nr 11, s. 6237-6244
Nationell ämneskategori
Oorganisk kemi
Identifikatorer
URN: urn:nbn:se:liu:diva-149874DOI: 10.1021/acs.inorgchem.8b00021ISI: 000434491700010PubMedID: 29749734OAI: oai:DiVA.org:liu-149874DiVA, id: diva2:1236416
Anmärkning
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]
2018-08-022018-08-022018-08-02