Xin LI, Li-Li XI, Jiong YANG, [in Chinese], [in Chinese], [in Chinese]. First Principles High-throughput Research on Thermoelectric Materials: a Review[J]. Journal of Inorganic Materials, 2019, 34(3): 236
- Journal of Inorganic Materials
- Vol. 34, Issue 3, 236 (2019)
. Schematic diagram of first principles high-throughput (HT) study on materials
. Relationship between calculation cost and accuracy
![Electrical properties in MP with a constant relaxation time approximation[35]](/Images/icon/loading.gif){kind=icon}
. Electrical properties in MP with a constant relaxation time approximation[35]
. Power factor of chalcogenides with diamond-like structures (a) and vacancy-containing ternary chalcogenides (b)[20]
. Relationship between κ LAGLandκ Lanh/κ Lexp(Data from Ref.[13])
. Three prediction models of the κ L in half-Heusler compounds[16]
(a) Frequency densities of the estimators of thermal conductivity at 300 Kκ transfand κ forest;and (b) distribution of κ anhover the 75 thermodynamically stable half-Heuslers
(a) Frequency densities of the estimators of thermal conductivity at 300 K
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