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XBi 4 S 7 (X = Mn, Fe): New Cost‐Efficient Layered n ‐Type Thermoelectric Sulfides with Ultralow Thermal Conductivity
Author(s) -
Labégorre JeanBaptiste,
Virfeu Agathe,
Bourhim Abdelhamid,
Willeman Héloïse,
Barbier Tristan,
Appert Florian,
Juraszek Jean,
Malaman Bernard,
Huguenot Arthur,
Gautier Régis,
Nassif Vivian,
Lemoine Pierric,
Prestipino Carmelo,
Elkaim Erik,
Pautrotd'Alençon Lauriane,
Le Mercier Thierry,
Maignan Antoine,
Al Rahal Al Orabi Rabih,
Guilmeau Emmanuel
Publication year - 2019
Publication title -
advanced functional materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 6.069
H-Index - 322
eISSN - 1616-3028
pISSN - 1616-301X
DOI - 10.1002/adfm.201904112
Subject(s) - thermoelectric effect , materials science , electronic band structure , seebeck coefficient , thermal conductivity , electronic structure , thermoelectric materials , figure of merit , crystal structure , condensed matter physics , monoclinic crystal system , crystallography , optoelectronics , chemistry , physics , thermodynamics , composite material
A new class of cost‐efficient n ‐type thermoelectric sulfides with a layered structure is reported, namely MnBi 4 S 7 and FeBi 4 S 7 . Theoretical calculations combined with synchrotron X‐ray/neutron diffraction analyses reveal the origin of their electronic and thermal properties. The complex low‐symmetry monoclinic crystal structure generates an electronic band structure with a mixture of heavy and light bands near the conduction band edge, as well as vibrational properties favorable for high thermoelectric performance. The low thermal conductivity can be attributed to the complex layered crystal structure and to the existence of the lone pair of electrons in Bi 3+ . This feature combined with the relatively high power factor lead to a figure of merit as high as 0.21 (700 K) in undoped MnBi 4 S 7 , making this material a promising n ‐type candidate for low‐ and intermediate‐temperature thermoelectric applications.