scholarly journals Combined treatment of phonon scattering by electrons and point defects explains the thermal conductivity reduction in highly-doped Si

2020 ◽  
Vol 8 (3) ◽  
pp. 1273-1278 ◽  
Author(s):  
Bonny Dongre ◽  
Jesús Carrete ◽  
Shihao Wen ◽  
Jinlong Ma ◽  
Wu Li ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Point Defects ◽  
Phonon Scattering ◽  
Combined Treatment ◽  
Successful Prediction

Successful prediction of thermal conductivity of highly-doped Si, revealing the importance of phonon scattering by electrons as well as point defects.

Vacancy Phonon Scattering and Thermoelectric Properties in In2Te3–SnTe Compounds

2010 ◽  
Vol 650 ◽  
pp. 126-131 ◽  
Author(s):  
Hong Fu ◽  
Peng Zhan Ying ◽  
J.L. Cui ◽  
Y.M. Yan ◽  
X.J. Zhang
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Properties ◽  
Point Defects ◽  
Figure Of Merit ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Chemical Compositions ◽  
Thermoelectric Figure ◽  
Solid Solution Formation ◽  
Solution Formation

Solid solution formation is a common and effective way to reduce the lattice thermal conductivity for thermoelectric materials because of additional phonon scattering by point defects and grain boundaries. In the present work we prepared In2Te3–SnTe compounds using a mild solidification technique and evaluated their thermoelectric properties in the temperature range from 318705 K. Measurements reveal that the transport properties are strongly dependent on the chemical composition  In2Te3 content, and lattice thermal conductivity significantly reduces above a minimum In2Te3 concentration, which can possibly be explained by an introduction of the vacancy on the indium sublattice and periodical vacancy planes. The highest thermoelectric figure of merit ZT of 0.19 can be achieved at 705 K, and a big improvement of In2Te3 based alloys would be expected if a proper optimization to the chemical compositions and structures were made.

Highly enhanced thermoelectric properties of nanostructured Bi2S3 bulk materials via carrier modification and multi-scale phonon scattering

2019 ◽  
Vol 6 (6) ◽  
pp. 1374-1381 ◽  
Author(s):  
Yi Wu ◽  
Qing Lou ◽  
Yang Qiu ◽  
Jun Guo ◽  
Zhi-Yuan Mei ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Grain Boundaries ◽  
Thermoelectric Properties ◽  
Point Defects ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Bulk Materials ◽  
Multi Scale ◽  
Multiscale Structure ◽  
Strong Scattering

Low lattice thermal conductivity for LaCl3-doped samples is obtained via a multiscale structure and strong scattering by point defects, dislocations and grain boundaries.

Lattice Thermal Conductivity Modelling of a Diatomic Nanoscale Material

2020 ◽  
Vol 10 (5) ◽  
pp. 602-609
Author(s):  
Adil H. Awad
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Correction Term ◽  
Nanoscale Material ◽  
New Approach ◽  
Two Samples ◽  
Conductivity Modelling ◽  
Callaway Model

Introduction: A new approach for expressing the lattice thermal conductivity of diatomic nanoscale materials is developed. Methods: The lattice thermal conductivity of two samples of GaAs nanobeam at 4-100K is calculated on the basis of monatomic dispersion relation. Phonons are scattered by nanobeam boundaries, point defects and other phonons via normal and Umklapp processes. Methods: A comparative study of the results of the present analysis and those obtained using Callaway formula is performed. We clearly demonstrate the importance of the utilised scattering mechanisms in lattice thermal conductivity by addressing the separate role of the phonon scattering relaxation rate. The formulas derived from the correction term are also presented, and their difference from Callaway model is evident. Furthermore their percentage contribution is sufficiently small to be neglected in calculating lattice thermal conductivity. Conclusion: Our model is successfully used to correlate the predicted lattice thermal conductivity with that of the experimental observation.

scholarly journals Scattering Mechanisms and Suppression of Bipolar Diffusion Effect in Bi2Te2.85Se0.15Ix Compounds

Materials ◽  
2021 ◽  
Vol 14 (6) ◽  
pp. 1564
Author(s):  
Jin Hee Kim ◽  
Song Yi Back ◽  
Jae Hyun Yun ◽  
Ho Seong Lee ◽  
Jong-Soo Rhyee
Keyword(s):  
Thermal Conductivity ◽  
Carrier Concentration ◽  
Hall Mobility ◽  
Lattice Distortion ◽  
Phonon Scattering ◽  
Iodine Concentration ◽  
Mean Free Path ◽  
Bandgap Energy ◽  
Diffusion Effect ◽  
Iodine Doping

We investigated the anisotropic thermoelectric properties of the Bi2Te2.85Se0.15Ix (x = 0.0, 0.1, 0.3, 0.5 mol.%) compounds, synthesized by ball-milling and hot-press sintering. The electrical conductivities of the Bi2Te2.85Se0.15Ix were significantly improved by the increase of carrier concentration. The dominant electronic scattering mechanism was changed from the mixed (T ≤ 400 K) and ionization scattering (T ≥ 420 K) for pristine compound (x = 0.0) to the acoustic phonon scattering by the iodine doping. The Hall mobility was also enhanced with the increasing carrier concentration. The enhancement of Hall mobility was caused by the increase of the mean free path of the carrier from 10.8 to 17.7 nm by iodine doping, which was attributed to the reduction of point defects without the meaningful change of bandgap energy. From the electron diffraction patterns, a lattice distortion was observed in the iodine doped compounds. The modulation vector due to lattice distortion increased with increasing iodine concentration, indicating the shorter range lattice distortion in real space for the higher iodine concentration. The bipolar thermal conductivity was suppressed, and the effective masses were increased by iodine doping. It suggests that the iodine doping minimizes the ionization scattering giving rise to the suppression of the bipolar diffusion effect, due to the prohibition of the BiTe1 antisite defect, and induces the lattice distortion which decreases lattice thermal conductivity, resulting in the enhancement of thermoelectric performance.

scholarly journals First-principles predictions of low lattice thermal conductivity and high thermoelectric performance of AZnSb (A = Rb, Cs)

RSC Advances ◽  
2021 ◽  
Vol 11 (25) ◽  
pp. 15486-15496
Author(s):  
Enamul Haque
Keyword(s):  
Thermal Conductivity ◽  
Debye Temperature ◽  
Layered Structure ◽  
First Principles ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Thermoelectric Performance

The layered structure, and presence of heavier elements Rb/Cs and Sb induce high anharmonicity, low Debye temperature, intense phonon scattering, and hence, low lattice thermal conductivity.

Influence of multi-sintering on the thermoelectric properties of Bi2Sr2Co2Oy ceramics

2019 ◽  
Vol 34 (02) ◽  
pp. 2050019 ◽  
Author(s):  
Y. Zhang ◽  
M. M. Fan ◽  
C. C. Ruan ◽  
Y. W. Zhang ◽  
X.-J. Li ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Properties ◽  
Figure Of Merit ◽  
Phonon Scattering ◽  
Sintered Sample ◽  
Thermoelectric Figure Of Merit ◽  
Thermoelectric Figure ◽  
The Third ◽  
Ceramic Samples ◽  
Optimum Formula

[Formula: see text] ceramic samples have a structure similar to phonon glass electronic crystals, and their thermoelectric properties can be effectively adjusted through repeated grinding and sintering. The results show that multi-sintering can make their grain refined and increase their grain boundary, which will effectively increase density and phonon scattering. Finally, multi-sintering can reduce the resistivity and thermal conductivity, thus obviously improve thermoelectric figure of merit [Formula: see text] of [Formula: see text]. The optimum [Formula: see text] value of 0.26 is achieved at 923 K by the third sintered sample.

A Molecular Dynamics Study of Thermal Conductivity in Nanocomposites via the Phonon Wave Packet Method

2009 ◽  
Author(s):  
Zhiting Tian ◽  
Sang Kim ◽  
Ying Sun ◽  
Bruce White
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Wave Packet ◽  
Molecular Dynamics Simulations ◽  
Phonon Scattering ◽  
Flow Direction ◽  
Normal Incidence ◽  
Material Interfaces ◽  
Non Equilibrium Molecular Dynamics ◽  
Dynamics Simulations

The phonon wave packet technique is used in conjunction with the molecular dynamics simulations to directly observe phonon scattering at material interfaces. The phonon transmission coefficient of nanocomposites is examined as a function of the defect size, thin film thickness, orientation of interface to the heat flow direction. To generalize the results based on phonons in a narrow frequency range and at normal incidence, the effective thermal conductivity of the same nanocomposite structure is calculated using non-equilibrium molecular dynamics simulations for model nanocomposites formed by two mass-mismatched Ar-like solids and heterogeneous Si-SiCO2 systems. The results are compared with the modified effective medium formulation for nanocomposites.

Thermal Conductivity Reduction in Few-Layer Graphene

2011 ◽  
Author(s):  
Dhruv Singh ◽  
Jayathi Y. Murthy ◽  
Timothy S. Fisher
Keyword(s):  
Thermal Conductivity ◽  
Weak Coupling ◽  
Phonon Scattering ◽  
Single Layer ◽  
Acoustic Mode ◽  
Single Layer Graphene ◽  
Boltzmann Transport ◽  
Layer Graphene ◽  
Out Of Plane ◽  
Few Layer Graphene

Using the linearized Boltzmann transport equation and perturbation theory, we analyze the reduction in the intrinsic thermal conductivity of few-layer graphene sheets accounting for all possible three-phonon scattering events. Even with weak coupling between layers, a significant reduction in the thermal conductivity of the out-of-plane acoustic modes is apparent. The main effect of this weak coupling is to open many new three-phonon scattering channels that are otherwise absent in graphene. The highly restrictive selection rule that leads to a high thermal conductivity of ZA phonons in single-layer graphene is only weakly broken with the addition of multiple layers, and ZA phonons still dominate thermal conductivity. We also find that the decrease in thermal conductivity is mainly caused by decreased contributions of the higher-order overtones of the fundamental out-of-plane acoustic mode. Moreover, the extent of reduction is largest when going from single to bilayer graphene and saturates for four layers. The results compare remarkably well over the entire temperature range with measurements of of graphene and graphite.

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