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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
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström.ORCID iD: 0000-0002-8690-9957
Stockholm Univ, Dept Mat & Environm Chem, Svante Arrhenius Vag 16c, S-10691 Stockholm, Sweden.;Aarhus Univ, Dept Biol & Chem Engn, DK-8000 Aarhus C, Denmark.;Aarhus Univ, iNANO, DK-8000 Aarhus C, Denmark..
Univ Paris Est Creteil, CNRS, ICMPE, UMR7182, 2 Rue Henri Dunant, F-94320 Thiais, France.;CNRS St Gobain NIMS, IRL 3629, Lab Innovat Key Mat & Struct LINK, Tsukuba, Ibaraki 3050044, Japan..
Royal Inst Technol, Nanostruct Phys, S-10691 Stockholm, Sweden.;NAS Ukraine, Inst Magnetism, UA-03142 Kiev, Ukraine.;MES Ukraine, UA-03142 Kiev, Ukraine..
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2024 (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
Elsevier, 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:uu:diva-526081DOI: 10.1016/j.jallcom.2024.173767ISI: 001181563000001OAI: oai:DiVA.org:uu-526081DiVA, id: diva2:1848813
Funder
Swedish Research CouncilSwedish Foundation for Strategic Research, EM16-0039Available from: 2024-04-04 Created: 2024-04-04 Last updated: 2024-04-04Bibliographically approved

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Shtender, VitaliiSahlberg, Martin

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