The realization of a high thermoelectric figure of merit in Ge-substituted β-Zn4Sb3 through band structure modification

2012 ◽  
Vol 22 (28) ◽  
pp. 13977 ◽  
Author(s):  
Shanyu Wang ◽  
Xiaojian Tan ◽  
Gangjian Tan ◽  
Xiaoyu She ◽  
Wei Liu ◽  
...  
Keyword(s):  
Band Structure ◽  
Figure Of Merit ◽  
Thermoelectric Figure Of Merit ◽  
Structure Modification ◽  
Thermoelectric Figure

scholarly journals First Principles Study of Thermoelectric Properties of Skutterudites: Ir4Sb12 and Ca0.04Ir4Sb12

2020 ◽  
Vol 6 (2) ◽  
pp. 1-9
Author(s):  
B. Bhattarai ◽  
T. Dahal ◽  
N. P. Adhikari
Keyword(s):  
Band Structure ◽  
Band Gap ◽  
Density Of States ◽  
First Principles ◽  
Figure Of Merit ◽  
Density Functional ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
Metallic Behavior ◽  
Maximum Value

First – principles calculations to study thermal and electrical properties of pristine and calcium filled skutterudite Ir4Sb12 has been carried out. Density of states (DOS) and band-structure calculations are based on Density Functional Theory (DFT) within Generalized Gradient Approximation (GGA). Transport properties are calculated using BoltzTrap software packages. Volume optimization is carried out on the basis of Murnaghan equation of states. The optimized lattice parameter of pristine Ir4Sb12 is found to be 9.4243 Å and that of calcium filled Ir4Sb12 is found to be 9.4949 Å. Our calculation shows that pristine Ir4Sb12 is a p-type of semiconductor with a narrow PBE-GGA band gap of 0.25 eV. After filling calcium, the band gap is reduced to zero showing the metallic behavior of filled compound. Band structure, density of states, variations of electrical and thermal conductivities with temperature and Seebeck coefficient show that calcium filled Ir4Sb12 has a metallic character. At Fermi level, the maximum value of thermoelectric figure of merit of unfilled Ir4Sb12 compound at temperature 400K is found to be 0.5. At the same temperature thermoelectric figure of merit calcium filled Ca0.04Ir4Sb12 is found to be around 0.03. The maximum value of of Ca filled Ca0.04Ir4Sb12 at 1000K is computed around 0.1.

Extraordinary thermoelectric performance of NaBaBi with degenerate and highly non-parabolic bands compared to LiBaSb and Bi2Te3

2021 ◽  
Author(s):  
Enamul Haque
Keyword(s):  
Fermi Level ◽  
Figure Of Merit ◽  
Thermoelectric Performance ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure

This article reports the extraordinary thermoelectric figure of merit (ZT) of NaBaBi: degenerate bands, instead of the valley degeneracy of Bi2Te3, highly non-parabolic bands, and low DOS near the Fermi level of NaBaBi lead to an extraordinary ZTisotropic ≈ 1.60 at 350 K.

Influence of multi-sintering on the thermoelectric properties of Bi2Sr2Co2Oy ceramics

2019 ◽  
Vol 34 (02) ◽  
pp. 2050019 ◽  
Author(s):  
Y. Zhang ◽  
M. M. Fan ◽  
C. C. Ruan ◽  
Y. W. Zhang ◽  
X.-J. Li ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Properties ◽  
Figure Of Merit ◽  
Phonon Scattering ◽  
Sintered Sample ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
The Third ◽  
Ceramic Samples ◽  
Optimum Formula

[Formula: see text] ceramic samples have a structure similar to phonon glass electronic crystals, and their thermoelectric properties can be effectively adjusted through repeated grinding and sintering. The results show that multi-sintering can make their grain refined and increase their grain boundary, which will effectively increase density and phonon scattering. Finally, multi-sintering can reduce the resistivity and thermal conductivity, thus obviously improve thermoelectric figure of merit [Formula: see text] of [Formula: see text]. The optimum [Formula: see text] value of 0.26 is achieved at 923 K by the third sintered sample.

A strategy for boosting the thermoelectric performance of famatinite Cu3SbS4

2020 ◽  
Vol 22 (4) ◽  
pp. 2081-2086 ◽  
Author(s):  
Taiki Tanishita ◽  
Koichiro Suekuni ◽  
Hirotaka Nishiate ◽  
Chul-Ho Lee ◽  
Michitaka Ohtaki
Keyword(s):  
Figure Of Merit ◽  
Thermoelectric Performance ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
Co Substitution

Co-substitution of Ge and P for Sb in Cu3SbS4 famatinite boosted dimensionless thermoelectric figure of merit.

Thermoelectric Properties of n-Type 90% Bi2Te3+10%Bi2Se3 Thermoelectric Materials Produced by Melt Spinning Method and Sintering

2007 ◽  
Vol 534-536 ◽  
pp. 161-164 ◽  
Author(s):  
Taek Soo Kim ◽  
Byong Sun Chun
Keyword(s):  
Solid Solutions ◽  
Thermoelectric Materials ◽  
Figure Of Merit ◽  
Melt Spinning ◽  
Bending Strength ◽  
Sintering Temperature ◽  
Thermoelectric Figure Of Merit ◽  
Vacuum Sintering ◽  
Thermoelectric Figure ◽  
Sintering Processes

N-type Bi2Te3-Sb2Te3 solid solutions doped with CdCl2 was prepared by melt spinning, crushing and vacuum sintering processes. Microstructure, bending strength and thermoelectric property were investigated as a function of the doping quantity from 0.03wt.% to 0.10wt.% and sintering temperature from 400oC to 500oC, and finally compared with those of conventionally fabricated alloys. The alloy showed a good structural homogeneity as well as bending strength of 3.88Kgf/mm2. The highest thermoelectric figure of merit was obtained by doping 0.03wt.% and sintering at 500oC.

Effects of Ce filling fraction and Fe content on the thermoelectric properties of Co-rich CeyFexCo4−xSb12

2001 ◽  
Vol 16 (3) ◽  
pp. 837-843 ◽  
Author(s):  
Xinfeng Tang ◽  
Lidong Chen ◽  
Takashi Goto ◽  
Toshio Hirai
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Properties ◽  
Figure Of Merit ◽  
Single Phase ◽  
Lattice Thermal Conductivity ◽  
Hole Concentration ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
Filling Fraction ◽  
Fe Content

Single-phase filled skutterudite compounds, CeyFexCo4−xSb12 (x = 0 to 3.0, y = 0 to 0.74), were synthesized by a melting method. The effects of Fe content and Ce filling fraction on the thermoelectric properties of CeyFexCo4−xSb12 were investigated. The lattice thermal conductivity of Ce-saturated CeyFexCo4−xSb12, y being at the maximum corresponding to x, decreased with increasing Fe content (x) and reached its minimum at about x = 1.5. When x was 1.5, lattice thermal conductivity decreased with increasing Ce filling fraction till y = 0.3 and then began to increase after reaching the minimum at y = 0.3. Hole concentration and electrical conductivity of Cey Fe1.5Co2.5Sb12 decreased with increasing Ce filling fraction. The Seebeck coefficient increased with increasing Ce filling fraction. The greatest dimensionless thermoelectric figure of merit T value of 1.1 was obtained at 750 K for the composition of Ce0.28Fe1.52Co2.48Sb12.

High-Thermoelectric Figure of Merit Realized in p-Type Half-Heusler Compounds: ZrCoSnxSb1-x

2007 ◽  
Vol 46 (No. 27) ◽  
pp. L673-L675 ◽  
Author(s):  
Takeyuki Sekimoto ◽  
Ken Kurosaki ◽  
Hiroaki Muta ◽  
Shinsuke Yamanaka
Keyword(s):  
Figure Of Merit ◽  
Thermoelectric Figure Of Merit ◽  
Heusler Compounds ◽  
Thermoelectric Figure ◽  
P Type
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