Thermophysical properties of polycrystalline PbS, PbSe, and PbTe in the temperature range 300?700 K

El-Sharkawy, A. A.; El-Azm, A. M. Abou; Kenawy, M. A.; Hillal, A. S.; Abu-Basha, H. M.

doi:10.1007/bf00502357

Cited by 79 publications

(72 citation statements)

References 6 publications

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“…65 Evaluating force constants using first-principles calculations has been made possible thanks to the aggressive improvements in computational hardware and software. When combined with firstprinciples calculations, lattice dynamics has been able to predict phonon properties and thermal conductivity with unprecedented 70 accuracy and without the need of any empirical input. [43][44][45] In the early 1980s, Yin and Cohen successfully used first-principles calculations combining a finite difference method to calculate the phonon frequencies and mode Grüneisen parameters at a few high symmetry points in the first Brillouin zone for Si and Ge.…”

Section: Methodsmentioning

confidence: 99%

“…35 Good agreement between the calculated thermal conductivity and experimental data can be seen. 62 and experiment 63 ; GaAs -first-principles calculation 58 and experiment 64 ; ZrCoSb -first-principles calculation 59 and experiment 65,66 ; PbTe -first-principles calculation 67 and experiment 68 ; PbSe -firstprinciples calculation 69 and experiment 70 . )…”

Section: 1 First-principles Calculationsmentioning

confidence: 99%

“…It is worth noting that all the aforementioned methods, except those used by Broido et al, 5,74,76 use the single mode phonon relaxation time approximation which includes both normal and Umklapp scatterings as sources of thermal resistance. The relaxation time approximation has been proven accurate for 70 most of the cases involving three dimensional crystals where Umklapp scattering dominates. However, it has been pointed out that in low dimensional materials, such as CNT and graphene, the relaxation time approximation can significantly underestimate thermal conductivity due to the significance of normal phonon-75 phonon scattering process.…”

Section: 1 First-principles Calculationsmentioning

confidence: 99%

“…Keblinski and coworkers 102 studied detailed phonon transmission at interfaces by launching a series of phonon wave-packets towards the interface one at a time in a molecular dynamics simulation. The 70 energies of these phonon wave-packets are tracked before and after they hit the interface, and the transmission coefficient is determined as the ratio of the energy of the transmitted wavepacket and that of the incident wave-packet. This method has later been applied to study phonon transmission at a number of 75 different interfaces.…”

Section: -89mentioning

confidence: 99%

“…34 Many of these measured exceptional thermal conductivities 65 have been explained by computational and experimental studies, and many significant questions remain. In this article, we will first review recent advances in computational and experimental methods in nanoscale heat transfer, and then discuss how they are used to understand and explain nanoscale thermal transport 70 phenomena. We will also discuss unsolved problems and challenges.…”

Section: Introductionmentioning

confidence: 99%

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Nanoscale heat transfer – from computation to experiment

Luo

Chen

2013

Phys. Chem. Chem. Phys.

249

208

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Heat transfer can differ distinctly at the nanoscale from that at the macroscale. Recent advancement in computational and experimental techniques has enabled a large number of interesting observations and 5 understanding of heat transfer processes at the nanoscale. In this review, we will first discuss recent advances in computational and experimental methods used in nanoscale thermal transport studies, followed by reviews of novel thermal transport phenomena at the nanoscale observed in both computational and experimental studies, and discussion on current understanding of these novel phenomena. Our perspectives on challenges and opportunities on computational and experimental 10 methods are also presented. IntroductionHeat transfer at the nanoscale can differ distinctly from that predicted by classical laws.1 Understanding nanoscale heat transfer will help thermal management of electronic, optical, and 15 optoelectronic devices, and design new materials with different thermal transport properties for energy conversion and utilization. Research on nanoscale heat transfer has advanced significantly over the past two decades, and a large number of interesting phenomena have been observed. 20The record-high thermal conductivities were computationally calculated (6600 W/mK at room temperature) 2 and experimentally measured (3500 W/mK at room temperature) 3 in a single-walled carbon nanotube (CNT), a one-dimensional system with thermal conductivity exceeding that of diamond -25 the best known heat conductor in bulk form. The thermal conductivities of CNTs are not only high but could also be diverging due to the one-dimensional nature of thermal transport. [4][5][6] Graphene 7 has also been reported to have exceptionally high thermal conductivity (5800 W/mK). Polymers, such as polyethylene, are usually regarded as thermal insulators in the amorphous phase (~0.3 W/mK). 9 However, simulations suggest that along a polyethylene molecular chain, thermal conductivity is high and could even be divergent.10 Ultradrawn polyethylene nanofibers are found to have thermal 35 conductivities (~100 W/mK) hundreds of times higher than their amorphous counterparts. 11 In fluids suspended with nanoparticles, thermal conductivity enhancement way beyond the amount predicted by traditional effective medium theory has been reported. 12,13 This observation has inspired a large amount of 40 research both theoretically and experimentally to explore the mechanism and applications of the enhanced thermal transport in nanofluids. [14][15][16][17][18][19] Theories have predicted that radiative heat transfer between objects separated at small distances increase significantly with decreasing separations, supported by a few 45 prior experiments performed at micrometer or larger separations. [20][21][22] Recent experiments have pushed the separations between surfaces to tens of nanometers, and radiative heat transfer many orders of magnitude higher than that predicted by Planck's blackbody radiation law has been reported. Besides the high and inc...

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Section: Methodsmentioning

confidence: 99%

Section: 1 First-principles Calculationsmentioning

confidence: 99%

Section: 1 First-principles Calculationsmentioning

confidence: 99%

Section: -89mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Nanoscale heat transfer – from computation to experiment

Luo

Chen

2013

Phys. Chem. Chem. Phys.

249

208

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Thermal Conductivity and Phonon Scattering Processes of ALD Grown PbTe–PbSe Thermoelectric Thin Films

DeCoster

Chen

Zhang

et al. 2019

Adv Funct Materials

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This work studies the thermal conductivity and phonon scattering processes in a series of n‐type lead telluride‐lead selenide (PbTe–PbSe) nanostructured thin films grown by atomic layer deposition (ALD). The ALD growth of the PbTe–PbSe samples in this work results in nonepitaxial films grown directly on native oxide/Si substrates, where the Volmer–Weber mode of growth promotes grains with a preferred columnar orientation. The ALD growth of these lead‐rich PbTe, PbSe, and PbTe–PbSe thin films results in secondary oxide phases, along with an increase microstructural quality with increased film thickness. The compositional variation and resulting point and planar defects in the PbTe–PbSe nanostructures give rise to additional phonon scattering events that reduce the thermal conductivity below that of the corresponding ALD‐grown control PbTe and PbSe films. Temperature‐dependent thermal conductivity measurements show that the phonon scattering in these ALD‐grown PbTe–PbSe nanostructured materials, along with ALD‐grown PbTe and PbSe thin films, are driven by extrinsic defect scattering processes as opposed to phonon–phonon scattering processes intrinsic to the PbTe or PbSe phonon spectra. The implication of this work is that polycrystalline, nanostructured ALD composites of thermoelectric PbTe–PbSe films are effective in reducing the phonon thermal conductivity, and represent a pathway for further improvement of the figure of merit (ZT), enhancing their thermoelectric application potential.

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Weak Bonding and Anharmonicity in Thermoelectric ZnSb

Grønbech,

Kasai,

Zhang

et al. 2024

Adv Funct Materials

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The Zn─Sb binary system contains two high‐performing thermoelectric materials, namely the ordered ZnSb and the disordered Zn13Sb10. Both systems exhibit low thermal conductivity, which is speculated to originate from multicentre bonding within Zn2Sb2‐rhombi. Here, the electron density of ZnSb is reported based on multipole modelling of accurate X‐ray diffraction data measured at 20 K. Topological analysis reveals that the bond paths in the rhombus are endocyclically strained and that electron density is concentrated within the rhombus rather than along its geometric bonds consistent with a multicentre bond description. However, the electron density is not equally shared between the geometric bonds of the rhombus. Electron density analysis and modelling of low‐temperature anharmonicity reveal that one Zn–Sb interaction is weaker than the other. Taken together with the orientation of bonds external to the rhombus structure, an alternative description emerges wherein the multicentre bond is more partially localised along one set of the opposite legs of the rhombus. In this description, the stronger bond can be considered a traditional 2‐centre‐2‐electron bond, while the weaker interaction is coordinative to the covalent bond. The anharmonicity and low thermal conductivity may consequently be understood as Zn rattling along the coordinative interaction.

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Thermophysical properties of polycrystalline PbS, PbSe, and PbTe in the temperature range 300?700 K

Cited by 79 publications

References 6 publications

Nanoscale heat transfer – from computation to experiment

Nanoscale heat transfer – from computation to experiment

Thermal Conductivity and Phonon Scattering Processes of ALD Grown PbTe–PbSe Thermoelectric Thin Films

Weak Bonding and Anharmonicity in Thermoelectric ZnSb

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