Demonstration of a phonon-glass electron-crystal strategy in (Hf,Zr)NiSn half-Heusler thermoelectric materials by alloying

2015 ◽  
Vol 3 (45) ◽  
pp. 22716-22722 ◽  
Author(s):  
Yintu Liu ◽  
Hanhui Xie ◽  
Chenguang Fu ◽  
G. Jeffrey Snyder ◽  
Xinbing Zhao ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Electron Transport ◽  
Thermoelectric Materials ◽  
Lattice Thermal Conductivity ◽  
Negligible Effect ◽  
Atomic Disorder ◽  
Electron Crystal

The atomic disorder of Zr/Hf sites in (Hf,Zr)NiSn alloys effectively reduces lattice thermal conductivity and has a negligible effect on electron transport, demonstrating an effective phonon-glass electron-crystal strategy.

scholarly journals Zintl-phase Eu2ZnSb2: A promising thermoelectric material with ultralow thermal conductivity

2019 ◽  
Vol 116 (8) ◽  
pp. 2831-2836 ◽  
Author(s):  
Chen Chen ◽  
Wenhua Xue ◽  
Shan Li ◽  
Zongwei Zhang ◽  
Xiaofang Li ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Material ◽  
Thermoelectric Materials ◽  
Lattice Thermal Conductivity ◽  
Domain Boundary ◽  
Zn Deficiency ◽  
Zintl Phase ◽  
Medium Temperature ◽  
Inversion Domain ◽  
Electron Crystal

Zintl compounds are considered to be potential thermoelectric materials due to their “phonon glass electron crystal” (PGEC) structure. A promising Zintl-phase thermoelectric material, 2-1-2–type Eu2ZnSb2 (P63/mmc), was prepared and investigated. The extremely low lattice thermal conductivity is attributed to the external Eu atomic layers inserted in the [Zn2Sb2]2- network in the structure of 1-2-2–type EuZn2Sb2(P3¯m1), as well as the abundant inversion domain boundary. By regulating the Zn deficiency, the electrical properties are significantly enhanced, and the maximum ZT value reaches ∼1.0 at 823 K for Eu2Zn0.98Sb2. Our discovery provides a class of Zintl thermoelectric materials applicable in the medium-temperature range.

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.

Investigation of Thermoelectric Materials: Substitution effect of Bi on the Ag1-xPb18MTe20 (M = Sb, Bi) (x = 0, 0.14, 0.3)

2007 ◽  
Vol 1044 ◽  
Author(s):  
Mi-kyung Han ◽  
Huijun Kong ◽  
Ctirad Uher ◽  
Mercouri G Kanatzidis
Keyword(s):  
Thermal Conductivity ◽  
Electrical Conductivity ◽  
Seebeck Coefficient ◽  
Thermoelectric Materials ◽  
Figure Of Merit ◽  
Lattice Thermal Conductivity ◽  
Substitution Effect ◽  
Dimensionless Figure Of Merit ◽  
The Matrix ◽  
Mass Fluctuation

AbstractWe performed comparative investigations of the Ag1-xPb18MTe20 (M = Bi, Sb) (x = 0, 0.14, 0.3) system to better understand the roles of Sb and Bi on the thermoelectric properties. In both systems, the electrical conductivity nearly keeps the same values, while the Seebeck coefficient decreases dramatically in going from Sb to Bi. Compared to the lattice thermal conductivity of PbTe, that of AgPb18BiTe20 is substantially reduced. The lattice thermal conductivity of the Bi analog, however, is higher than that of AgPb18SbTe20 and this is attributed largely to the decrease in the degree of mass fluctuation between the nanostructures and the matrix (for the Bi analog). As a result the dimensionless figure of merit ZT of Ag1-xPb18MTe20 (M = Bi) is found to be smaller than that of Ag1-xPb18MTe20 (M = Sb).

Intrinsically Low Lattice Thermal Conductivity in Natural Superlattice (Bi2)m(Bi2Te3)n Thermoelectric Materials

2021 ◽  
Vol 33 (4) ◽  
pp. 1140-1148
Author(s):  
Hao Zhu ◽  
Chenchen Zhao ◽  
Pengfei Nan ◽  
Xiao-ming Jiang ◽  
Jiyin Zhao ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Materials ◽  
Lattice Thermal Conductivity ◽  
Natural Superlattice

ChemInform Abstract: Probing the Lower Limit of Lattice Thermal Conductivity in an Ordered Extended Solid: Gd117Co56Sn112, a Phonon Glass-Electron Crystal System.

ChemInform ◽  
2012 ◽  
Vol 43 (32) ◽  
pp. no-no
Author(s):  
Devin C. Schmitt ◽  
Neel Haldolaarachchige ◽  
Yimin Xiong ◽  
David P. Young ◽  
Rongying Jin ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Lower Limit ◽  
Lattice Thermal Conductivity ◽  
Crystal System ◽  
Electron Crystal

Metal phosphide CuP2 as a promising thermoelectric material: an insight from first-principles study

2021 ◽  
Author(s):  
Un-Gi Jong ◽  
Chol-Hyok Ri ◽  
Chol-Jin Pak ◽  
Chol-Hyok Kim ◽  
Stefaan Cottenier ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Material ◽  
Thermoelectric Materials ◽  
First Principles ◽  
Lattice Thermal Conductivity ◽  
Metal Phosphide ◽  
First Principles Study ◽  
Metal Phosphides ◽  
Large Lattice

In the search for better thermoelectric materials, metal phosphides have not been considered to be viable candidates so far, due to their large lattice thermal conductivity. Here we study thermoelectric...

scholarly journals Lattice Thermal Conductivity in Thermoelectric Materials

2019 ◽  
Vol 34 (3) ◽  
pp. 260 ◽  
Author(s):  
SHEN Jia-Jun ◽  
FANG Teng ◽  
FU Tie-Zheng ◽  
XIN Jia-Zhan ◽  
ZHAO Xin-Bing ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Materials ◽  
Lattice Thermal Conductivity

scholarly journals Development of novel thermoelectric materials by reduction of lattice thermal conductivity

2010 ◽  
Vol 11 (4) ◽  
pp. 044306 ◽  
Author(s):  
Chunlei Wan ◽  
Yifeng Wang ◽  
Ning Wang ◽  
Wataru Norimatsu ◽  
Michiko Kusunoki ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Materials ◽  
Lattice Thermal Conductivity

Ultralow Lattice Thermal Conductivity of Cubic CuFeS2 Induced by Atomic Disorder

2021 ◽  
Author(s):  
De Zhang ◽  
Bin Zhang ◽  
ZiZhen Zhou ◽  
Kunling Peng ◽  
Hong Wu ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Atomic Disorder

Approaching the minimum lattice thermal conductivity of p-type SnTe thermoelectric materials by Sb and Mg alloying

2019 ◽  
Vol 64 (14) ◽  
pp. 1024-1030 ◽  
Author(s):  
Tiezheng Fu ◽  
Jiazhan Xin ◽  
Tiejun Zhu ◽  
Jiajun Shen ◽  
Teng Fang ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Materials ◽  
Lattice Thermal Conductivity ◽  
P Type
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