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YCuTe2: a member of a new class of thermoelectric materials with CuTe4-based layered structure

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Aydemir, Umut Pöhls, Jan-Hendrik Zhu, Hong Hautier, Geoffroy [UCL] Bajaj, Saurabh Snyder, G. Jeffrey

Intrinsically doped samples of YCuTe2 were prepared by solid state reaction of the elements. Based on the differential scanning calorimetry and the high temperature X-ray diffraction analyses, YCuTe2 exhibits a first order phase transition at 440 K from a low-temperature-phase crystallizing in the space group P3m1 to a high-temperature-phase in P3. Above the phase transition temperature, partially ordered Cu atoms become completely disordered in the crystal structure. Small increases to the Cu content are observed to favour the formation of the high temperature phase. We find no indication of superionic Cu ions as for binary copper chalcogenides (e.g., Cu2Se or Cu2Te). All investigated samples exhibit very low thermal conductivities (as low as 0.5 W m1 K1 at 800 K) due to highly disordered Cu atoms. Electronic structure calculations are employed to better understand the high thermoelectric efficiency for YCuTe2. The maximum thermoelectric figure of merit, zT, is measured to be 0.75 at 780 K for Y0.96Cu1.08Te2, which is promising for mid-temperature thermoelectric applications.

Document type Article de périodique (Journal article) – Article de recherche
Access type Accès restreint
Publication date 2016
Language Anglais
Journal information "Journal of Materials Chemistry A" - Vol. 4, no.7, p. 2461-2472 (2016)
Peer reviewed yes
Publisher R S C Publications (Cambridge)
issn 2050-7488
e-issn 2050-7496
Publication status Publié
Affiliation UCL - SST/IMCN/NAPS - Nanoscopic Physics
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Bibliographic reference Aydemir, Umut ; Pöhls, Jan-Hendrik ; Zhu, Hong ; Hautier, Geoffroy ; Bajaj, Saurabh ; et. al. YCuTe2: a member of a new class of thermoelectric materials with CuTe4-based layered structure. In: Journal of Materials Chemistry A, Vol. 4, no.7, p. 2461-2472 (2016)
Permanent URL http://hdl.handle.net/2078.1/172029