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

Vitalii Shtender; Volodymyr Smetana; Jean Claude Crivello; Anatolii Kravets; Łukasz Gondek; Anja Verena Mudring; Martin Sahlberg

doi:10.1016/j.jallcom.2024.173767

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

Vitalii Shtender^*, Volodymyr Smetana^*, Jean Claude Crivello, Anatolii Kravets, Łukasz Gondek, Anja Verena Mudring, Martin Sahlberg

^*Corresponding author for this work

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

2 Citations (Scopus)

Abstract

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) Å, V = 850.5–869.5(4) Å³, 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) Å, 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 Kagomé -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.

Original language	English
Article number	173767
Journal	Journal of Alloys and Compounds
Volume	982
ISSN	0925-8388
DOIs	https://doi.org/10.1016/j.jallcom.2024.173767
Publication status	Published - 30 Apr 2024

Keywords

crystal structure
electronic structure
Intermetallics
magnetic properties

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10.1016/j.jallcom.2024.173767

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@article{528a91f46e9340d68f0f229dc2672bee,

title = "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",

abstract = "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) {\AA}, V = 850.5–869.5(4) {\AA}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) {\AA}, 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 Kagom{\'e} -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.",

keywords = "crystal structure, electronic structure, Intermetallics, magnetic properties",

author = "Vitalii Shtender and Volodymyr Smetana and Crivello, {Jean Claude} and Anatolii Kravets and {\L}ukasz Gondek and Mudring, {Anja Verena} and Martin Sahlberg",

note = "Publisher Copyright: {\textcopyright} 2024 The Authors",

year = "2024",

month = apr,

day = "30",

doi = "10.1016/j.jallcom.2024.173767",

language = "English",

volume = "982",

journal = "Journal of Alloys and Compounds",

issn = "0925-8388",

publisher = "Elsevier B.V.",

}

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. / Shtender, Vitalii; Smetana, Volodymyr; Crivello, Jean Claude et al.
In: Journal of Alloys and Compounds, Vol. 982, 173767, 30.04.2024.

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

TY - JOUR

T1 - 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

AU - Shtender, Vitalii

AU - Smetana, Volodymyr

AU - Crivello, Jean Claude

AU - Kravets, Anatolii

AU - Gondek, Łukasz

AU - Mudring, Anja Verena

AU - Sahlberg, Martin

PY - 2024/4/30

Y1 - 2024/4/30

N2 - 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) Å, V = 850.5–869.5(4) Å3, 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) Å, 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 Kagomé -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.

AB - 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) Å, V = 850.5–869.5(4) Å3, 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) Å, 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 Kagomé -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.

KW - crystal structure

KW - electronic structure

KW - Intermetallics

KW - magnetic properties

UR - http://www.scopus.com/inward/record.url?scp=85185555629&partnerID=8YFLogxK

U2 - 10.1016/j.jallcom.2024.173767

DO - 10.1016/j.jallcom.2024.173767

M3 - Journal article

AN - SCOPUS:85185555629

SN - 0925-8388

VL - 982

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

M1 - 173767

ER -

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

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