Coupled vibrational modes in multiple-filled skutterudites and the effects on lattice thermal conductivity reduction

2013 ◽  
Vol 102 (11) ◽  
pp. 111905 ◽  
Author(s):  
L. Guo ◽  
X. Xu ◽  
J. R. Salvador ◽  
G. P. Meisner
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Vibrational Modes ◽  
Filled Skutterudites

scholarly journals Low thermal conductivity in La-filled cobalt antimonide skutterudites with an inhomogeneous filling factor prepared under high-pressure conditions

2018 ◽  
Vol 6 (1) ◽  
pp. 118-126 ◽  
Author(s):  
F. Serrano-Sánchez ◽  
J. Prado-Gonjal ◽  
N. M. Nemes ◽  
N. Biskup ◽  
M. Varela ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
High Pressure ◽  
Filling Factor ◽  
Lattice Thermal Conductivity ◽  
Low Thermal Conductivity ◽  
Cobalt Antimonide ◽  
Filled Skutterudites

La-filled skutterudites with an inhomogeneous filling factor synthesized by high pressure exhibit a remarkably low lattice thermal conductivity.

How cerium filling fraction influences thermal factors and magnetism in CeyFe4-xNixSb12.

2000 ◽  
Vol 626 ◽  
Author(s):  
L. Chapon ◽  
D. Ravot ◽  
J.C. Tedenac ◽  
F. Bouree-Vigneron
Keyword(s):  
Thermal Conductivity ◽  
Rare Earth ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Theoretical Calculations ◽  
Filling Fraction ◽  
Rare Earth Atom ◽  
Filled Skutterudites ◽  
Order Of Magnitude ◽  
Mass Fluctuation

Since few years, cerium filled and partially filled skutterudites are intensively studied because they show a wide variety of fundamental and applied properties. One of them consists in high values of thermal factors for rare earth atom in antimony skutterudites [1,2]. Slack suggests [3,4] a incoherent rattling of this ion in the oversized cage “Sb12” surrounding the cerium which affects highly the phonon motion and thus lowers the lattice thermal conductivity (kl). As a rule, the lattice thermal conductivity is decreased by a factor of 5 or greater by filling entirely the voids of the binary filled skutterudites with rare earth atoms [5]. Besides, kl decreases for partially filled compounds in respect with totally filled ones [6,7]. Mass fluctuation mechanism between cerium atom and vacancy is obviously involved as the origin of this last reduction. On that purpose, theoretical calculations [7] demonstrate that the reduction belonging to mass fluctuation mechanism is an order of magnitude lower than the measured decrease. As the mass fluctuation added to the “rattling” on the cerium site is not sufficient to explain such low values of thermal conductivity, another phonon scattering mechanism must exist. In order to find another mechanism we present the influence of the filling fraction of cerium on thermal factors and the temperature dependence of this factor for a partially filled compound.

Transport Properties of Partially-Filled CeyCo4Sb12

1997 ◽  
Vol 478 ◽  
Author(s):  
C. Uher ◽  
B. Chen ◽  
S. Hu ◽  
D.T. Morelli ◽  
G.P. Meisner
Keyword(s):  
Thermal Conductivity ◽  
Transport Properties ◽  
Magnetic Moment ◽  
Strong Influence ◽  
Lattice Thermal Conductivity ◽  
Filling Fraction ◽  
Figures Of Merit ◽  
Trivalent Cerium ◽  
Filled Skutterudites ◽  
P Type

AbstractWe have investigated the magnetic and transport properties of CeyCo4Sb12 filled skutterudites with the filling fraction y ≤ 0.1. These compounds are n-type materials that develop a magnetic moment upon the presence of trivalent cerium. Cerium has a strong influence on all transport properties and even in small amounts it drastically reduces the lattice thermal conductivity. The resulting figures of merit are comparable to the values established previously for the p-type filled skutterudites.

scholarly journals Ba-filled Ni–Sb–Sn based skutterudites with anomalously high lattice thermal conductivity

2016 ◽  
Vol 45 (27) ◽  
pp. 11071-11100 ◽  
Author(s):  
W. Paschinger ◽  
G. Rogl ◽  
A. Grytsiv ◽  
H. Michor ◽  
P. R. Heinrich ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Filled Skutterudites

Novel filled skutterudites BayNi4Sb12−xSnx (ymax = 0.93) have been prepared and thoroughly characterized, which show anomalously high lattice thermal conductivity.

scholarly journals Strongly reduced lattice thermal conductivity in Sn-doped rare-earth (M) filled skutterudites MxCo4Sb12−ySny, promoted by Sb–Sn disordering and phase segregation

RSC Advances ◽  
2021 ◽  
Vol 11 (42) ◽  
pp. 26421-26431
Author(s):  
J. Gainza ◽  
F. Serrano-Sánchez ◽  
N. M. Nemes ◽  
O. J. Dura ◽  
J. L. Martínez ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Rare Earth ◽  
Carrier Density ◽  
Lattice Thermal Conductivity ◽  
Phase Segregation ◽  
Intrinsic Disorder ◽  
Filling Fraction ◽  
Filled Skutterudites ◽  
Sn Substitution ◽  
The Way

Three effects act as phonon scatterers: rattling of M at 8a cages, phase segregation, and intrinsic disorder introduced by Sn substitution, resulting in minimum k values. High filling fraction in Sn-doped phases pave the way to tune the carrier density in skutterudites.

Promising thermoelectric materials of Cu3VX4 (X=S, Se, Te): A Cu-V-X framework plus void tunnels

2019 ◽  
Vol 30 (08) ◽  
pp. 1950045
Author(s):  
Xiao-Peng Liu ◽  
Zhen-Zhen Feng ◽  
Shu-Ping Guo ◽  
Yi Xia ◽  
Yongsheng Zhang
Keyword(s):  
Crystal Structure ◽  
Thermal Conductivity ◽  
First Principles ◽  
High Performance ◽  
Lattice Thermal Conductivity ◽  
Lone Pair ◽  
Heusler Compounds ◽  
Filled Skutterudites ◽  
Structure Result ◽  
Lone Pair Electrons

Skutterudites and half-Heusler compounds are well-studied promising thermoelectric (TE) materials due to favorable electrical properties. However, their intrinsic lattice thermal conductivities are so high that various methodologies have been developed to decrease them. Based on our first-principles phonon calculations, we find that thermodynamically stable Cu3VX4 ([Formula: see text], Se, Te) compounds exhibit good thermoelectric properties due to their special crystal structure (a Cu-V-X framework plus large void tunnels). The mechanically stable framework is the favorite pathway for the carrier conduction, which induces high electrical conductivity and power factor (comparative to those of filled-skutterudites and half-Heusler systems). Moreover, the void tunnels in the crystal structure result in unsaturated coordinations at the X sites and corresponding lone-pair electrons, which lower the lattice thermal conductivity. The calculated intrinsic lattice thermal conductivity of Cu3VX4 is much lower than those of the well-studied skutterudites and half-Heusler compounds. Thus, the maximum ZT values approach 1.6 (at 900[Formula: see text]K, [Formula: see text][Formula: see text][Formula: see text]) and 1.2 (at 1000[Formula: see text]K, [Formula: see text][Formula: see text][Formula: see text]) for the p- and n-type Cu3VTe4 compounds, respectively. Our work provides not only distinctive high-performance TE materials (Cu3VX4), but also a guideline for future promising thermoelectric discoveries.

Enhanced Thermoelectric Figure of Merit in BaxYbyCo4Sb12 Skutterudites

2007 ◽  
Vol 1044 ◽  
Author(s):  
Ctirad Uher ◽  
Xun Shi ◽  
Huijun Kong
Keyword(s):  
Thermal Conductivity ◽  
High Purity ◽  
Figure Of Merit ◽  
Lattice Thermal Conductivity ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
Similar Composition ◽  
Filled Skutterudites ◽  
The Cost

AbstractWe report on the development of an efficient n-type skutterudite based on the double-filled structure of CoSb3. The chosen filler species Ba and Yb have a large phonon contrast and this combination is very effective in lowering the lattice thermal conductivity. The highest figure of merit in excess of 1.3 is obtained near 800K and the figure of merit greater than unity persists down to temperatures of about 550K. The compounds are synthesized with high purity Co (99.998%) and Sb (99.9999%). In order to reduce the cost of the materials, we have also prepared filled skutterudites of similar composition but using less pure Co (99.8%) and Sb (99.999%). The figure of merit of these lower purity compounds reaches ZT = 1 at 800K with the materials' cost dramatically reduced.

Lattice thermal conductivity of filled skutterudites: An anharmonicity perspective

2014 ◽  
Vol 116 (16) ◽  
pp. 163503 ◽  
Author(s):  
Huiyuan Geng ◽  
Xianfu Meng ◽  
Hao Zhang ◽  
Jian Zhang
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Filled Skutterudites
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