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Layered Manganese Bismuth Tellurides with GeBi4Te7– and GeBi6Te10–type Structures: Towards Multifunctional Materials

preprint
submitted on 07.06.2019 and posted on 17.06.2019 by Daniel Souchay, Markus Nentwig, Daniel Günther, Simon Keilholz, Johannes de Boor, Alexander Zeugner, Anna Isaeva, Michael Ruck, Anja U. B. Wolter, Bernd Büchner, Oliver Oeckler

The crystal structures of new layered manganese bismuth tellurides with the compositions Mn0.85(3)Bi4.10(2)Te7 and Mn0.73(4)Bi6.18(2)Te10 were determined by single-crystal X-ray diffraction, including the use of microfocused synchrotron radiation. These analyses reveal that the layered structures deviate from the idealized stoichiometry of the 12P-GeBi4Te7 (space group P3m1) and 51R-GeBi6Te10 (space group R3m) structure types they adopt. Modified compositions Mn1–xBi4+2x/3Te7 (x = 0.15 – 0.2) and Mn1–xBi6+2x/3Te10 (x = 0.19 – 0.26) assume cation vacancies and lead to homogenous bulk samples as confirmed by Rietveld refinements. Electron diffraction patterns exhibit no diffuse streaks that would indicate stacking disorder. The alternating quintuple-layer [M2Te3] and septuple-layer [M3Te4] slabs (M = mixed occupied by Bi and Mn) with 1:1 sequence (12P stacking) in Mn0.85Bi4.10Te7 and 2:1 sequence (51R stacking) in Mn0.81Bi6.13Te10 were also observed in HRTEM images. Temperature-dependent powder diffraction and differential scanning calorimetry show that the compounds are high temperature phases, which are metastable at ambient temperature. Magnetization measurements are in accordance with a MnII oxidation state and point at predominantly ferromagnetic coupling in both compounds. The thermoelectric figures of merit of n-type conducting Mn0.85Bi4.10Te7 and Mn0.81Bi6.13Te10 reach zT = 0.25 at 375 °C and zT = 0.28 at 325 °C, respectively. Although the compounds are metastable, compact ingots exhibit still up to 80% of the main phases after thermoelectric measurements up to 400 °C.

History

Email Address of Submitting Author

oliver.oeckler@gmx.de

Institution

Leipzig University

Country

Germany

ORCID For Submitting Author

0000-0003-0149-7066

Declaration of Conflict of Interest

none

Version Notes

Revision (first version uploaded)

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