Gold-rich R3Au7Sn3: Establishing the interdependence between electronic features and physical properties

Provino, Alessia; Steinberg, Simon; Smetana, Volodymyr; Kulkarni, Ruta; Dhar, Sudesh K.; Manfrinetti, Pietro; Mudring, Anja -Verena

doi:10.1039/C5TC00884K

Title: Gold-rich R₃Au₇Sn₃: Establishing the interdependence between electronic features and physical properties

Journal Article · Mon May 18 00:00:00 EDT 2015 · Journal of Materials Chemistry C

DOI:https://doi.org/10.1039/C5TC00884K· OSTI ID:1240738

Provino, Alessia ^[1]; Steinberg, Simon ^[2]; Smetana, Volodymyr ^[3]; Kulkarni, Ruta ^[4]; Dhar, Sudesh K. ^[4]; Manfrinetti, Pietro ^[1]; Mudring, Anja -Verena ^[2]

Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States); Univ. of Genova, Genova (Italy); Institute SPIN-CNR, Genova (Italy)
Iowa State Univ., Ames, IA (United States); Ames Lab., Ames, IA (United States)
Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)
Tata Institute of Fundamental Research, Mumbai (India)

Two new polar intermetallic compounds Y₃Au₇Sn₃ (I) and Gd₃Au₇Sn₃ (II) have been synthesized and their structures have been determined by single crystal X-ray diffraction (P6_3/m; Z = 2, a = 8.148(1)/8.185(3), and c = 9.394(2)/9.415(3) for I/II, respectively). They can formally be assigned to the Cu₁₀Sn₃ type and consist of parallel slabs of Sn centered, edge-sharing trigonal Au₆ antiprisms connected through R₃ (R = Y, Gd) triangles. Additional Au atoms reside in the centres of trigonal Au₆ prisms forming Au@Au₆ clusters with Au–Au distances of 2.906–2.960 Å, while the R–R contacts in the R₃ groups are considerably larger than the sums of their metallic radii. These exclusive structural arrangements provide alluring systems to study the synergism between strongly correlated systems, particularly, those in the structure of (II), and extensive polar intermetallic contacts, which has been inspected by measurements of the magnetic properties, heat capacities and electrical conductivities of both compounds. Gd₃Au₇Sn₃ shows an antiferromagnetic ordering at 13 K, while Y₃Au₇Sn₃ is a Pauli paramagnet and a downward curvature in its electrical resistivity at about 1.9 K points to a superconducting transition. DFT-based band structure calculations on R₃Au₇Sn₃ (R = Y, Gd) account for the results of the conductivity measurements and different spin ordering models of (II) provide conclusive hints about its magnetic structure. As a result, chemical bonding analyses of both compounds indicate that the vast majority of bonding originates from the heteroatomic Au–Gd and Au–Sn interactions, while homoatomic Au–Au bonding is evident within the Au@Au₆ clusters.

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Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1240738

Report Number(s):: IS-J-8712; JMCCCX

Journal Information:: Journal of Materials Chemistry C, Vol. 3, Issue 32; ISSN 2050-7526

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 19 works

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