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Cationic doping is mainly used to improve the performance of rocksalt‐structured GeTe thermoelectric materials. However, its counterpart anionic doping is scarcely facilitated. Here, a comprehensive discussion is provided on doping at the anion site of rocksalt‐structured thermoelectric materials, surrounding its influence on bonding mechanisms, carrier and phonon transport characteristics, and thermoelectric...
In this work, a LaB6‐alloying strategy is reported to effectively boost the figure‐of‐merit (ZT) of Ge0.92Bi0.08Te‐based alloys up to ≈2.2 at 723 K, attributed to a synergy of La‐dopant induced band structuring and structural manipulation. Density‐function‐theory calculations reveal that La dopant enlarges the bandgap and converges the energy offset between the sub‐valence bands in cubic‐structured...
Owing to high intrinsic figure‐of‐merit implemented by multi‐band valleytronics, GeTe‐based thermoelectric materials are promising for medium‐temperature applications. Transition metals are widely used as dopants for developing high‐performance GeTe thermoelectric materials. Herein, relevant work is critically reviewed to establish a correlation among transition metal doping, electronic quality factor,...
Mn alloying in thermoelectrics is a long‐standing strategy for enhancing their figure‐of‐merit through optimizing electronic transport properties by band convergence, valley perturbation, or spin‐orbital coupling. By contrast, mechanisms by which Mn contributes to suppressing thermal transports, namely thermal conductivity, is still ambiguous. A few precedent studies indicate that Mn introduces a...
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