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Intermetallics of 4:4:1 and 3:3:1 series in La-(Co,Ni)-M (M = Bi, Pb, Te, Sb, Sn and Ga, Al) systems and their properties
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). Aarhus University, Denmark.ORCID iD: 0000-0003-0763-1457
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Number of Authors: 72024 (English)In: Journal of Alloys and Compounds, ISSN 0925-8388, E-ISSN 1873-4669, Vol. 982, article id 173767Article in journal (Refereed) Published
Abstract [en]

Two series of isostructural intermetallics have been discovered in our search for new compounds with fused honeycomb motifs, both stable at elevated temperatures (1073 K). They crystallize with orthorhombic unit cells - La4Co4M (M = Sn, Sb, Te, Pb, Bi, SG Pbam, a = 8.247-8.315(2), b = 21.913-22.137(7), c = 4.750-4.664(2) angstrom, V = 850.5-869.5(4) angstrom 3, Z = 4) and La3Ni3M (M = Al, Ga, SG Cmcm, a = 4.1790-4.2395(1), b = 10.4921-10.6426 (6), c = 13.6399-13.7616(8) angstrom, V = 606.72-612.05(7), Z = 3). The crystal structures represent interesting variations of semiregular tilings of corrugated anionic layers and predominantly cationic zigzag motifs. The La4Co4M compounds reveal a complex type of ordering with a high degree of frustration as could be expected for the Kagome ' -related lattices, while magnetic ordering in the La3Ni3M series is less evident. Electronic structure calculations have been performed for multiple compounds within both series revealing metallic character and visible local minima around the Fermi level. The bonding picture is characterized by nearly equal contributions from the anionic and the cationic components.

Place, publisher, year, edition, pages
2024. Vol. 982, article id 173767
Keywords [en]
Intermetallics, crystal structure, electronic structure, magnetic properties
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:su:diva-228258DOI: 10.1016/j.jallcom.2024.173767ISI: 001181563000001Scopus ID: 2-s2.0-85185555629OAI: oai:DiVA.org:su-228258DiVA, id: diva2:1850871
Available from: 2024-04-11 Created: 2024-04-11 Last updated: 2024-04-11Bibliographically approved

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Smetana, VolodymyrMudring, Anja-Verena

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