Suppressing Ge-vacancies to Achieve High Single-Leg Efficiency in GeTe with Ultra-High Room Temperature Power Factor

2021 ◽  
Author(s):  
Ning Jia ◽  
Cao Jing ◽  
Xian Yi Tan ◽  
Jie Zheng ◽  
Sheauwei Chien ◽  
...  
Keyword(s):  
Phase Transition ◽  
Thermal Conductivity ◽  
Power Factor ◽  
High Performance ◽  
Room Temperature ◽  
Lattice Thermal Conductivity ◽  
Medium Temperature ◽  
Peierls Distortion

GeTe is among the best medium-temperature thermoelectrics. Its high performance originates from band convergence at phase transition and low lattice thermal conductivity due to Peierls distortion. In most works, the...

scholarly journals Ternary selenides A2Sb4Se8 (A = K, Rb and Cs) as an n-type thermoelectric material with high power factor and low lattice thermal conductivity: importance of the conformationally flexible Sb–Se–Se–Sb bridges

RSC Advances ◽  
2020 ◽  
Vol 10 (24) ◽  
pp. 14415-14421
Author(s):  
Changhoon Lee ◽  
Sujee Kim ◽  
Won-Joon Son ◽  
Ji-Hoon Shim ◽  
Myung-Hwan Whangbo
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Properties ◽  
Thermoelectric Material ◽  
Power Factor ◽  
High Power ◽  
High Performance ◽  
Lattice Thermal Conductivity ◽  
High Power Factor

The ternary selenides A2Sb4Se8 (A = K, Rb, Cs) are predicted to be a high-performance n-type thermoelectric material, and the conformationally-flexible Sb–Se(2)–Se(2)–Sb bridges are crucial in determining the thermoelectric properties of A2Sb4Se8.

scholarly journals Excellent Room-Temperature Thermoelectricity of 2D GeP3: Mexican-Hat-Shaped Band Dispersion and Ultralow Lattice Thermal Conductivity

Molecules ◽  
2021 ◽  
Vol 26 (21) ◽  
pp. 6376
Author(s):  
Cong Wang ◽  
Zhiyuan Xu ◽  
Ke Xu ◽  
Guoying Gao
Keyword(s):  
Thermal Conductivity ◽  
Power Factor ◽  
Room Temperature ◽  
Lattice Thermal Conductivity ◽  
Transport Theory ◽  
Phonon Scattering ◽  
Quantum Confinement Effect ◽  
Boltzmann Transport Theory ◽  
Mexican Hat ◽  
P Type

Although some atomically thin 2D semiconductors have been found to possess good thermoelectric performance due to the quantum confinement effect, most of their behaviors occur at a higher temperature. Searching for promising thermoelectric materials at room temperature is meaningful and challenging. Inspired by the finding of moderate band gap and high carrier mobility in monolayer GeP3, we investigated the thermoelectric properties by using semi-classical Boltzmann transport theory and first-principles calculations. The results show that the room-temperature lattice thermal conductivity of monolayer GeP3 is only 0.43 Wm−1K−1 because of the low group velocity and the strong anharmonic phonon scattering resulting from the disordered phonon vibrations with out-of-plane and in-plane directions. Simultaneously, the Mexican-hat-shaped dispersion and the orbital degeneracy of the valence bands result in a large p-type power factor. Combining this superior power factor with the ultralow lattice thermal conductivity, a high p-type thermoelectric figure of merit of 3.33 is achieved with a moderate carrier concentration at 300 K. The present work highlights the potential applications of 2D GeP3 as an excellent room-temperature thermoelectric material.

scholarly journals Local ferroelectric polarization switching driven by nanoscale distortions in thermoelectric $${\text {Sn}}_{0.7}{\text {Ge}}_{0.3}{\text {Te}}$$

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Aastha Vasdev ◽  
Moinak Dutta ◽  
Shivam Mishra ◽  
Veerpal Kaur ◽  
Harleen Kaur ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Figure Of Merit ◽  
Room Temperature ◽  
Lattice Thermal Conductivity ◽  
Direct Evidence ◽  
Temperature Dependent ◽  
Force Microscopy ◽  
Ferroelectric Domains ◽  
Pdf Analysis ◽  
Ferroelectric Transition Temperature

AbstractA remarkable decrease in the lattice thermal conductivity and enhancement of thermoelectric figure of merit were recently observed in rock-salt cubic SnTe, when doped with germanium (Ge). Primarily, based on theoretical analysis, the decrease in lattice thermal conductivity was attributed to local ferroelectric fluctuations induced softening of the optical phonons which may strongly scatter the heat carrying acoustic phonons. Although the previous structural analysis indicated that the local ferroelectric transition temperature would be near room temperature in $${\text {Sn}}_{0.7}{\text {Ge}}_{0.3}{\text {Te}}$$ Sn 0.7 Ge 0.3 Te , a direct evidence of local ferroelectricity remained elusive. Here we report a direct evidence of local nanoscale ferroelectric domains and their switching in $${\text {Sn}}_{0.7}{\text {Ge}}_{0.3}{\text {Te}}$$ Sn 0.7 Ge 0.3 Te using piezoeresponse force microscopy(PFM) and switching spectroscopy over a range of temperatures near the room temperature. From temperature dependent (250–300 K) synchrotron X-ray pair distribution function (PDF) analysis, we show the presence of local off-centering distortion of Ge along the rhombohedral direction in global cubic $${\text {Sn}}_{0.7}{\text {Ge}}_{0.3}{\text {Te}}$$ Sn 0.7 Ge 0.3 Te . The length scale of the $${\text {Ge}}^{2+}$$ Ge 2 + off-centering is 0.25–0.10 Å near the room temperatures (250–300 K). This local emphatic behaviour of cation is the cause for the observed local ferroelectric instability, thereby low lattice thermal conductivity in $${\text {Sn}}_{0.7}{\text {Ge}}_{0.3}{\text {Te}}$$ Sn 0.7 Ge 0.3 Te .

scholarly journals The origin of the lattice thermal conductivity enhancement at the ferroelectric phase transition in GeTe

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Đorđe Dangić ◽  
Olle Hellman ◽  
Stephen Fahy ◽  
Ivana Savić
Keyword(s):  
Phase Transition ◽  
Thermal Conductivity ◽  
Phase Transitions ◽  
Thermoelectric Materials ◽  
Ferroelectric Phase Transition ◽  
Lattice Thermal Conductivity ◽  
Ferroelectric Phase ◽  
Structural Phase ◽  
High Symmetry ◽  
Structural Phase Transitions

AbstractThe proximity to structural phase transitions in IV-VI thermoelectric materials is one of the main reasons for their large phonon anharmonicity and intrinsically low lattice thermal conductivity κ. However, the κ of GeTe increases at the ferroelectric phase transition near 700 K. Using first-principles calculations with the temperature dependent effective potential method, we show that this rise in κ is the consequence of negative thermal expansion in the rhombohedral phase and increase in the phonon lifetimes in the high-symmetry phase. Strong anharmonicity near the phase transition induces non-Lorentzian shapes of the phonon power spectra. To account for these effects, we implement a method of calculating κ based on the Green-Kubo approach and find that the Boltzmann transport equation underestimates κ near the phase transition. Our findings elucidate the influence of structural phase transitions on κ and provide guidance for design of better thermoelectric materials.

A High Thermoelectric Performance ZT in p-Type LaSe2 Crystal

2021 ◽  
Vol 871 ◽  
pp. 203-207
Author(s):  
Jian Liu
Keyword(s):  
Thermal Conductivity ◽  
Power Factor ◽  
High Power ◽  
Density Functional ◽  
Lattice Thermal Conductivity ◽  
Phonon Transport ◽  
Thermoelectric Performance ◽  
Boltzmann Transport ◽  
High Power Factor ◽  
P Type

In this work, we use first principles DFT calculations, anharmonic phonon scatter theory and Boltzmann transport method, to predict a comprehensive study on the thermoelectric properties as electronic and phonon transport of layered LaSe2 crystal. The flat-and-dispersive type band structure of LaSe2 crystal offers a high power factor. In the other hand, low lattice thermal conductivity is revealed in LaSe2 semiconductor, combined with its high power factor, the LaSe2 crystal is considered a promising thermoelectric material. It is demonstrated that p-type LaSe2 could be optimized to exhibit outstanding thermoelectric performance with a maximum ZT value of 1.41 at 1100K. Explored by density functional theory calculations, the high ZT value is due to its high Seebeck coefficient S, high electrical conductivity, and low lattice thermal conductivity .

scholarly journals Impact of the iron substitution on the thermoelectric properties of Co 1− x Fe x S 2 ( x  ≤ 0.30)

2019 ◽  
Vol 377 (2152) ◽  
pp. 20180337 ◽  
Author(s):  
Ulises Acevedo Salas ◽  
Ismail Fourati ◽  
Jean Juraszek ◽  
Fabienne Richomme ◽  
Denis Pelloquin ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermal Properties ◽  
Thermoelectric Properties ◽  
Thermoelectric Material ◽  
Power Factor ◽  
Room Temperature ◽  
Low Carbon ◽  
Energy Materials ◽  
Work Samples ◽  
Lattice Part

The strong interplay between magnetism and transport can tune the thermoelectric properties in chalcogenides and oxides. In the case of ferromagnetic CoS 2 pyrite, it was previously shown that the power factor is large at room temperature, reaching 1 mW m −1  K −2 and abruptly increases for temperatures below the Curie transition ( T C ), an increase potentially due to a magnonic effect on the Seebeck ( S ) coefficient. The too large thermal conductivity approximately equal to 10.5 W m −1  K −1 at room temperature prevents this pyrite from being a good thermoelectric material. In this work, samples belonging to the Co 1− x Fe x S 2 pyrite family ( x  = 0, 0.15 and 0.30) have thus been investigated in order to modify the thermal properties by the introduction of disorder on the Co site. We show here that the thermal conductivity can indeed be reduced by such a substitution, but that this substitution predominantly induces a reduction of the electronic part of the thermal conductivity and not of the lattice part. Interestingly, the magnonic contribution to S below T C disappears as x increases, while at high T , S tends to a very similar value (close to −42 µV K −1 ) for all the samples investigated. This article is part of a discussion meeting issue ‘Energy materials for a low carbon future’.

scholarly journals Thermal Conductivity of High Performance Concrete in Wide Temperature and Moisture Ranges

10.14311/174 ◽  
2001 ◽  
Vol 41 (1) ◽  
Author(s):  
J. Toman ◽  
R. Černý
Keyword(s):  
Thermal Conductivity ◽  
High Performance ◽  
Room Temperature ◽  
High Performance Concrete ◽  
Measuring Method ◽  
Point Of View ◽  
Temperature Measurements ◽  
Temperature Fields ◽  
Measured Temperature ◽  
Hot Wire

The thermal conductivity of two types of high performance concrete was measured in the temperature range from 100 °C to 800 °C and in the moisture range from dry material to saturation water content. A transient measuring method based on analysis of the measured temperature fields was chosen for the high temperature measurements, and a commercial hot wire device was employed in room temperature measurements of the effect of moisture on thermal conductivity. The measured results reveal that both temperature and moisture exhibit significant effects on the values of thermal conductivity, and these effects are quite comparable from the point of view of the magnitude of the observed variations.

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.

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