Synthesis and characterization of Pt(Cu0.67Sn0.33)

Juarez-Arellano, E. A.; Schellhase, S.; Morgenroth, W.; Binck, J.; Tamura, N.; Stan, C.; Spahr, D.; Bayarjargal, L.; Barkov, A.; Milman, V.; Dippel, A. -C.; Zimmermann, M. v.; Ivashko, O.; Gutowski, O.; Winkler, B.

doi:10.1016/j.solidstatesciences.2020.106282

Title: Synthesis and characterization of Pt(Cu_0.67Sn_0.33)

Journal Article · Mon May 11 00:00:00 EDT 2020 · Solid State Sciences

DOI:https://doi.org/10.1016/j.solidstatesciences.2020.106282· OSTI ID:1788005

Juarez-Arellano, E. A. ^[1]; Schellhase, S. ^[2]; Morgenroth, W. ^[2]; Binck, J. ^[2]; Tamura, N. ^[3]; Stan, C. ^[3]; Spahr, D. ^[2]; Bayarjargal, L. ^[2]; Barkov, A. ^[4]; Milman, V. ^[5]; Dippel, A. -C. ^[6]; Zimmermann, M. v. ^[6]; Ivashko, O. ^[6]; Gutowski, O. ^[6]; Winkler, B. ^[2]

Goethe University, Frankfurt (Germany); University Del Papaloapan, Tuxtepec, Oaxaca (Mexico)
Goethe University, Frankfurt (Germany)
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
Cherepovets State University (Russian Federation)
Dassault Systemes BIOVIA, Cambridge (United Kingdom)
Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

Pt(Cu_0.67Sn_0.33) has recently been found in a natural sample. In order to be able to characterize this new ternary compound, we synthesized it from the elements. Samples were characterized by X-ray powder diffraction, differential scanning calorimetry, thermal relaxation calorimetry, and scanning electron microscopy studies. Density functional theory-based model calculations complemented the experimental studies. Pt(Cu_0.67Sn_0.33)was already formed at a relatively low temperature of 773 K. Rietveld refinement of Pt(Cu_0.67Sn_0.33) has been carried out in CuAu-type or L1₀-type structure, space group P4/mmm, with Pt on 0,0,0 and disordered Cu and Sn on 1/2, 1/2, 1/2 and Z = 1. The lattice parameters are a = 2.823(1) Å, c = 3.64(1) Å, and V = 29.00(4) Å which are in good agreement with values obtained earlier on the natural sample and with the results of DFT calculations. The vibrational entropy for Pt(Cu_0.67Sn_0.33) is $$S_{298.15}^{vib}$$ = 79.9(7) J mol^-1 K^-1. The pressure dependence up to 36(2) GPa of the unit-cell volume and the lattice parameters and unit-cell volume have been obtained by synchrotron based powder diffraction using a diamond anvil cell. A fit of a 3rd-order Birch–Murnaghan equation of state to the Pt(Cu_0.67Sn_0.33)) (p,V)-data results in a bulk modulus of B₀ = 215(27) GPa and B' = 5(2).

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Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); German Research Foundation (DFG); Federal Ministry of Education and Research (BMBF); Frankfurt University

Grant/Contract Number:: AC02-05CH11231; Wi-1232; DFG FOR 2125

OSTI ID:: 1788005

Alternate ID(s):: OSTI ID: 1694047

Journal Information:: Solid State Sciences, Vol. 105; ISSN 1293-2558

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Synthesis and characterization of Pt(Cu_0.67Sn_0.33)