First-principles calculation of lattice thermal conductivity and thermoelectric figure of merit in ferromagnetic half-Heusler alloy CoMnSb

2020 ◽  
Vol 116 (24) ◽  
pp. 242408
Author(s):  
Akihiro Hori ◽  
Susumu Minami ◽  
Mineo Saito ◽  
Fumiyuki Ishii
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
Heusler Alloy ◽  
Figure Of Merit ◽  
Lattice Thermal Conductivity ◽  
First Principles Calculation ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure

scholarly journals First-principles prediction of structural stability and thermoelectric properties of SrGaSnH

RSC Advances ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 3304-3314
Author(s):  
Enamul Haque ◽  
Mizanur Rahaman
Keyword(s):  
Thermal Conductivity ◽  
Structural Stability ◽  
Thermoelectric Properties ◽  
First Principles ◽  
Figure Of Merit ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure

Weak anharmonicity: the weak anharmonicity leads to weak phonon scattering in SrGaSnH. Thus, SrGaSnH intrinsically possesses a high lattice thermal conductivity (kl).. Such large κl dramatically reduces the thermoelectric figure of merit.

scholarly journals A first-principles study of the effects of electron–phonon coupling on the thermoelectric properties: a case study of the SiGe compound

2018 ◽  
Vol 6 (25) ◽  
pp. 12125-12131 ◽  
Author(s):  
D. D. Fan ◽  
H. J. Liu ◽  
L. Cheng ◽  
J. H. Liang ◽  
P. H. Jiang
Keyword(s):  
Thermal Conductivity ◽  
Carrier Concentration ◽  
First Principles ◽  
Figure Of Merit ◽  
Lattice Thermal Conductivity ◽  
Thermoelectric Figure Of Merit ◽  
Phonon Coupling ◽  
Thermoelectric Figure ◽  
Electron Phonon Coupling

The lattice thermal conductivity of the SiGe compound can be significantly reduced by electron–phonon coupling at higher carrier concentration, which in turn obviously enhances its thermoelectric figure-of-merit.

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.

Thermoelectric Properties of CoSb3-based Skutterudite Compounds

2010 ◽  
Vol 1267 ◽  
Author(s):  
Adul Harnwunggmoung ◽  
Ken Kurosaki ◽  
Hiroaki Muta ◽  
Shinsuke Yamanaka
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Properties ◽  
Figure Of Merit ◽  
Room Temperature ◽  
Lattice Thermal Conductivity ◽  
Filling Ratio ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
Alloy Scattering ◽  
Skutterudite Compound

AbstractCoSb3 is known as a skutterudite compound that could exhibit high thermoelectric figure of merit. However, the thermal conductivity of CoSb3 is relatively high. In order to enhance the thermoelectric performance of this compound, we tried to reduce the thermal conductivity of CoSb3 by substitution of Rh for Co and by Tl-filling into the voids. The polycrystalline samples of (Co,Rh)Sb3 and Tl-filled CoSb3 were prepared and the thermoelectric properties such as the Seebeck coefficient, electrical resistivity, and thermal conductivity were measured in the temperature range from room temperature to 750 K. The Rh substitution for Co reduced the lattice thermal conductivity, due to the alloy scattering effect. The minimum value of the lattice thermal conductivity was 4 Wm-1K-1 at 750 K obtained for (Co0.7Rh0.3)Sb3. Also the lattice thermal conductivity rapidly decreased with increasing the Tl-filling ratio. T10.25Co4Sb12 exhibited the best ZT values; the maximum ZT was 0.9 obtained at 600 K.

Thermal Conductivity of Zn4−xCdxSb3 Solid Solutions

1997 ◽  
Vol 478 ◽  
Author(s):  
T. Caillat ◽  
A. Borshchevsky ◽  
J. -P. Fleurial
Keyword(s):  
Thermal Conductivity ◽  
High Performance ◽  
Figure Of Merit ◽  
Lattice Thermal Conductivity ◽  
State Of The Art ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
Jet Propulsion ◽  
P Type ◽  
Electrical Conductors

Abstractβ-Zn4Sb3 was recently identified at the Jet Propulsion Laboratory as a new high performance p-type thermoelectric material with a maximum dimensionless thermoelectric figure of merit ZT of 1.4 at a temperature of 673K. A usual approach, used for many state-of-the-art thermoelectric materials, to further improve ZT values is to alloy β-Zn4Sb3 with isostructural compounds because of the expected decrease in lattice thermal conductivity. We have grown Zn4−xCdxSb3 crystals with 0.2≤x<1.2 and measured their thermal conductivity from 10 to 500K. The thermal conductivity values of Zn4−xCdxSb3 alloys are significantly lower than those measured for β-Zn4Sb3 and are comparable to its calculated minimum thermal conductivity. A strong atomic disorder is believed to be primarily at the origin of the very low thermal conductivity of these materials which are also fairly good electrical conductors and are therefore excellent candidates for thermoelectric applications.

Enhanced thermoelectric performance through carrier scattering at heterojunction potentials in BiSbTe based composites with Cu3SbSe4 nanoinclusions

2015 ◽  
Vol 3 (27) ◽  
pp. 7045-7052 ◽  
Author(s):  
Yuanyue Li ◽  
Di Li ◽  
Xiaoying Qin ◽  
Xiuhui Yang ◽  
Yongfei Liu ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Power Factor ◽  
Figure Of Merit ◽  
Lattice Thermal Conductivity ◽  
Thermoelectric Performance ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
Carrier Scattering ◽  
Interface Scattering

Owing to enhanced power factor and reduced lattice thermal conductivity through interface scattering, a largest thermoelectric figure of merit ZT = 1.61 is achieved at 467 K for BiSbTe based composite with Cu3SbSe4 nanoinclusions.

scholarly journals Is LiI a Potential Dopant Candidate to Enhance the Thermoelectric Performance in Sb-Free GeTe Systems? A Prelusive Study

Energies ◽  
2020 ◽  
Vol 13 (3) ◽  
pp. 643 ◽  
Author(s):  
Bhuvanesh Srinivasan ◽  
David Berthebaud ◽  
Takao Mori
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Properties ◽  
Power Factor ◽  
Figure Of Merit ◽  
Lattice Thermal Conductivity ◽  
Short Communication ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
Plasma Sintering ◽  
Spark Plasma

As a workable substitute for toxic PbTe-based thermoelectrics, GeTe-based materials are emanating as reliable alternatives. To assess the suitability of LiI as a dopant in thermoelectric GeTe, a prelusive study of thermoelectric properties of GeTe1−xLiIx (x = 0–0.02) alloys processed by Spark Plasma Sintering (SPS) are presented in this short communication. A maximum thermoelectric figure of merit, zT ~ 1.2, was attained at 773 K for 2 mol% LiI-doped GeTe composition, thanks to the combined benefits of a noted reduction in the thermal conductivity and a marginally improved power factor. The scattering of heat carrying phonons due to the presumable formation of Li-induced “pseudo-vacancies” and nano-precipitates contributed to the conspicuous suppression of lattice thermal conductivity, and consequently boosted the zT of the Sb-free (GeTe)0.98(LiI)0.02 sample when compared to that of pristine GeTe and Sb-rich (GeTe)x(LiSbTe2)2 compounds that were reported earlier.

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