Y4Be33Pt16 – a non-centrosymmetric cage superconductor with multi-centre bonding in the framework

Amon, Alfred; Svanidze, Eteri; Prots, Yurii; Burkhardt, Ulrich; Ormeci, Alim; Leithe‐Jasper, Andreas; Grin, Yuri

doi:10.1039/d0dt01374a

Cited by 11 publications

(9 citation statements)

References 31 publications

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“…The results of the single crystal X-ray diffraction analysis of U Be Pt and Th Be Pt are summarized in Tables SI and SII of the “ Supplementary Information ”. As reported earlier for the isostructural Be Pt compounds 48 , they crystallize in the non-centrosymmetric space group and can be thought of as an arrangement of rod-like structures along the 3-fold [111] directions of the unit cell, consisting of interpenetrating coordination polyhedra centered on the Th and Pt1 atoms (see Fig. 1 (right)).…”

Section: Resultsmentioning

confidence: 72%

“… . In contrast, at the same level of calculation the Fermi level was found near a local maximum in Y Be Pt 48 . The spin polarized calculations at both scalar and fully-relativistic levels converged to zero spin magnetic moment solution—also for all individual atoms.…”

Section: Resultsmentioning

confidence: 78%

“…In this work, we present the discovery and characterization of a novel structurally complex NCSC Th Be Pt . This compound is isostructural to the previously reported family of intermetallic cage compounds Be Pt ( R = Y, La–Nd, Sm–Lu), which host a wide range of physical properties 48 , 49 . The Th Be Pt compound displays type-II superconductivity below K, as inferred from the specific heat and electrical resistivity data.…”

Section: Introductionmentioning

confidence: 69%

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Non-centrosymmetric superconductor Th$$_4$$Be$$_{{33}}$$Pt$$_{{16}}$$ and heavy-fermion U$$_4$$Be$$_{{33}}$$Pt$$_{{16}}$$ cage compounds

Koželj

Juckel

Amon

et al. 2021

Sci Rep

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Unconventional superconductivity in non-centrosymmetric superconductors has attracted a considerable amount of attention. While several lanthanide-based materials have been reported previously, the number of actinide-based systems remains small. In this work, we present the discovery of a novel cubic complex non-centrosymmetric superconductor $${\text {Th}}_4{\text {Be}}_{{33}}{\text {Pt}}_{{16}}$$ Th 4 Be 33 Pt 16 ($$I{\bar{4}}3d$$ I 4 ¯ 3 d space group). This intermetallic cage compound displays superconductivity below $$T_{\text {c}} = 0.90 \pm 0.04$$ T c = 0.90 ± 0.04 K, as evidenced by specific heat and resistivity data. $${\text {Th}}_4{\text {Be}}_{{33}}{\text {Pt}}_{{16}}$$ Th 4 Be 33 Pt 16 is a type-II superconductor, which has an upper critical field $${\text {H}}_{{\text {c}}2} = 0.27$$ H c 2 = 0.27 T and a moderate Sommerfeld coefficient $$\gamma _{\text {n}} = 16.3 \pm 0.8$$ γ n = 16.3 ± 0.8 mJ $${\text {mol}}^{-1}_{\text {Th}}$$ mol Th - 1 $${\text {K}}^{-2}$$ K - 2 . A non-zero density of states at the Fermi level is evident from metallic behavior in the normal state, as well as from electronic band structure calculations. The isostructural $${\text {U}}_4{\text {Be}}_{{33}}{\text {Pt}}_{{16}}$$ U 4 Be 33 Pt 16 compound is a paramagnet with a moderately enhanced electronic mass, as indicated by the electronic specific heat coefficient $$\gamma _{\text {n}} = 200$$ γ n = 200 mJ $${\text {mol}}^{-1}_{\text {U}}$$ mol U - 1 $${\text {K}}^{-2}$$ K - 2 and Kadowaki–Woods ratio $$A/\gamma ^2 = 1.1 \times 10^{-5}$$ A / γ 2 = 1.1 × 10 - 5 $$\upmu $$ μ $$\Omega $$ Ω cm $${\text {K}}^2$$ K 2 $${\text {mol}}_{\text {U}}^2$$ mol U 2 (mJ)$$^{-2}$$ - 2 . Both $${\text {Th}}_4{\text {Be}}_{{33}}{\text {Pt}}_{{16}}$$ Th 4 Be 33 Pt 16 and $${\text {U}}_4{\text {Be}}_{{33}}{\text {Pt}}_{{16}}$$ U 4 Be 33 Pt 16 are crystallographically complex, each hosting 212 atoms per unit cell.

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Section: Resultsmentioning

confidence: 72%

Section: Resultsmentioning

confidence: 78%

Section: Introductionmentioning

confidence: 69%

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Non-centrosymmetric superconductor Th$$_4$$Be$$_{{33}}$$Pt$$_{{16}}$$ and heavy-fermion U$$_4$$Be$$_{{33}}$$Pt$$_{{16}}$$ cage compounds

Koželj

Juckel

Amon

et al. 2021

Sci Rep

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“…Usually, the rare‐earth metals atoms in the QTAIM representation in intermetallic compounds have close to spherical shapes including mostly the inner electronic shells. The spherical shape of the yttrium cation in the recently described crystal structure of Y 4 Be 33 Pt 16 [23] may serve as a characteristic example. In contrast, the shape of the Lu atoms in LuGe is far from spherical, indicating an appearance of rather unusual atomic interactions.…”

Section: Figurementioning

confidence: 98%

“Excess” electrons in LuGe

et al. 2021

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The monogermanide LuGe is obtained via high‐pressure high‐temperature synthesis (5–15 GPa, 1023–1423 K). The crystal structure is solved from single‐crystal X‐ray diffraction data (structure type FeB, space group Pnma, a=7.660(2) Å, b=3.875(1) Å, and c=5.715(2) Å, RF=0.036 for 206 symmetry independent reflections). The analysis of chemical bonding applying quantum‐chemical techniques in position space was performed. It revealed—beside the expected 2c‐Ge‐Ge bonds in the germanium polyanion—rather unexpected four‐atomic bonds between lutetium atoms indicating the formation of a polycation by the excess electrons in the system Lu3+(2b)Ge2−×1 e−. Despite the reduced VEC of 3.5, lutetium monogermanide is following the extended 8‐N rule with the trend to form lutetium‐lutetium bonds utilizing the electrons left after satisfying the bonding needs in the anionic Ge‐Ge zigzag chain.

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“…Normalerweise sind die Seltenerdmetallatome in der QTAIM‐Darstellung in intermetallischen Verbindungen nahezu kugelförmig und schließen hauptsächlich nur die inneren elektronischen Schalen ein. Als charakteristisches Beispiel kann die Kugelform des Yttrium‐Kations in der kürzlich beschriebenen Verbindung Y 4 Be 33 Pt 16 [23] dienen. Im Gegensatz dazu ist die Form der Lu‐Atome in LuGe alles andere als sphärisch, was auf das Auftreten eher ungewöhnlicher atomarer Wechselwirkungen hinweist.…”

Section: Figureunclassified

“Überschuss”‐Elektronen in LuGe

Freccero¹,

Hübner²,

Prots³

et al. 2021

Angewandte Chemie

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Das Monogermanid LuGe wurde durch Hochdruck‐Hochtemperatursynthese (5–15 GPa, 1023–1423 K) erhalten. Die Kristallstruktur wurde aus Einkristall‐Röntgenbeugungsdaten gelöst und verfeinert (Strukturtyp FeB, Raumgruppe Pnma, a=7.660 (2) Å, b=3.875 (1) Å und c=5.715 (2) Å, RF=0.036 für 206 symmetrie‐unabhängige Reflexe). Die Analyse der chemischen Bindung wurde mit Hilfe quantenchemischer Techniken im Ortsraum durchgeführt. Neben den erwarteten 2c‐Ge‐Ge‐Bindungen im Germaniumpolyanion wurde eine eher unerwartete vieratomige Wechselwirkung zwischen Lutetium‐Atomen gefunden, was auf die Bildung eines Polykations durch die überschüssigen Elektronen im System Lu3+(2b)Ge2−×1 e− hinweist. Trotz der reduzierten Valenzelektronen‐Konzentration von 3.5 folgt Lutetium‐Monogermanid der erweiterten 8‐N‐Regel durch die Bildung von Lutetium‐Lutetium‐Bindungen unter Verwendung der Elektronen, die nach der Bindungssättigung in der anionischen Ge‐Ge‐Zickzackkette übrigbleiben.

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Y₄Be₃₃Pt₁₆ – a non-centrosymmetric cage superconductor with multi-centre bonding in the framework

Abstract: Y4Be33Pt16 – a novel non-centrosymmetric cage superconductor with multi-centre bonding in the framework.

Cited by 11 publications

References 31 publications

Non-centrosymmetric superconductor Th$$_4$$Be$$_{{33}}$$Pt$$_{{16}}$$ and heavy-fermion U$$_4$$Be$$_{{33}}$$Pt$$_{{16}}$$ cage compounds

Non-centrosymmetric superconductor Th$$_4$$Be$$_{{33}}$$Pt$$_{{16}}$$ and heavy-fermion U$$_4$$Be$$_{{33}}$$Pt$$_{{16}}$$ cage compounds

“Excess” electrons in LuGe

“Überschuss”‐Elektronen in LuGe

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