scholarly journals Effect of filler mass and binding on thermal conductivity of fully filled skutterudites

2010 ◽  
Vol 82 (19) ◽  
Author(s):  
Mona Zebarjadi ◽  
Keivan Esfarjani ◽  
Jian Yang ◽  
Z. F. Ren ◽  
Gang Chen
Author(s):  
Mona Zebarjadi ◽  
Keivan Esfarjani ◽  
Gang Chen

A two dimensional toy model is developed to study thermal transport in cage like structures such a skutterudites and clathrates. The model consists of host atoms on a rectangular lattice with fillers in the center of each rectangle. The thermal conductivity is calculated by using Green-Kubo equilibrium molecular dynamics simulations. It is generally believed that the smaller and the heavier the filler, the lower is the thermal conductivity. We show that the thermal conductivity decreases with atomic displacement parameter while it has local minima versus filler mass. Our study shows that it is very important to include the correct band dispersion to get the right features of the thermal conductivity. We show that by having a double well potential one can further reduce the thermal conductivity.


2018 ◽  
Vol 6 (1) ◽  
pp. 118-126 ◽  
Author(s):  
F. Serrano-Sánchez ◽  
J. Prado-Gonjal ◽  
N. M. Nemes ◽  
N. Biskup ◽  
M. Varela ◽  
...  

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


2003 ◽  
Vol 793 ◽  
Author(s):  
C. A. Kendziora ◽  
G. S. Nolas

ABSTRACTWe study Raman phonon vibrations and relate them to thermal conductivity for empty and filled skutterudites designed for thermoelectric applications, where low thermal conduction is critical. Polarized Raman scattering spectra of crystallite and polycrystalline samples are compared with theoretical predictions and analyzed in comparison to the thermal conduction properties. Our emphasis is on the CoSb3 skutterudite and its filled derivatives, including materials with Ge, Sn, and La in the cages. We observe a strong correlation between aspects of the Raman spectrum and low thermal conductivity. This presents Raman spectroscopy as a characteristic screening tool for potential thermoelectrics and is a crucial step toward predicting lattice thermal conductivities.


2000 ◽  
Vol 626 ◽  
Author(s):  
G.S. Nolas ◽  
M. Kaeser ◽  
R.T. Littleton ◽  
T.M. Tritt ◽  
H. Sellinschegg ◽  
...  

ABSTRACTThe skutterudite family of compounds continues to be of interest for thermoelectric applications due to the low thermal conductivity obtained when filling the voids with small diameter, large mass interstitials such as trivalent rare-earth ions. In the last few years there has been a substantial experimental and theoretical effort in attempting to understand the transport properties of these compounds in order to optimize their thermoelectric properties. One such approach involves partially-filling the voids in attempting to optimize the power factor while maintaining low thermal conductivity. In this report experimental research on skutterudites with the voids partially filled with heavy mass lanthanide and alkaline-earth ions is reported.


Materials ◽  
2021 ◽  
Vol 14 (19) ◽  
pp. 5773
Author(s):  
Giovanna Latronico ◽  
Paolo Mele ◽  
Cristina Artini ◽  
Pietro Manfrinetti ◽  
Sian Wei Pan ◽  
...  

Filled skutterudites are currently studied as promising thermoelectric materials due to their high power factor and low thermal conductivity. The latter property, in particular, can be enhanced by adding scattering centers, such as the ones deriving from low dimensionality and the presence of interfaces. This work reports on the synthesis and characterization of thin films belonging to the Smy(FexNi1-x)4Sb12-filled skutterudite system. Films were deposited under vacuum conditions by the pulsed laser deposition (PLD) method on fused silica substrates, and the deposition temperature was varied. The effect of the annealing process was studied by subjecting a set of films to a thermal treatment for 1 h at 423 K. Electrical conductivity σ and Seebeck coefficient S were acquired by the four-probe method using a ZEM-3 apparatus performing cycles in the 348–523 K temperature range, recording both heating and cooling processes. Films deposited at room temperature required three cycles up to 523 K before being stabilized, thus revealing the importance of a proper annealing process in order to obtain reliable physical data. XRD analyses confirm the previous result, as only annealed films present a highly crystalline skutterudite not accompanied by extra phases. The power factor of annealed films is shown to be lower than in the corresponding bulk samples due to the lower Seebeck coefficients occurring in films. Room temperature thermal conductivity, on the contrary, shows values comparable to the ones of doubly doped bulk samples, thus highlighting the positive effect of interfaces on the introduction of scattering centers, and therefore on the reduction of thermal conductivity.


2011 ◽  
Vol 109 (2) ◽  
pp. 023719 ◽  
Author(s):  
Ruiheng Liu ◽  
Xihong Chen ◽  
Pengfei Qiu ◽  
Jinfeng Liu ◽  
Jiong Yang ◽  
...  

2000 ◽  
Vol 626 ◽  
Author(s):  
L. Chapon ◽  
D. Ravot ◽  
J.C. Tedenac ◽  
F. Bouree-Vigneron

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.


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