Anharmoncity and low thermal conductivity in thermoelectrics

C Chang, LD Zhao - Materials Today Physics, 2018 - Elsevier
The thermoelectric (TE) efficiency is evaluated by the material thermoelectric figure of merit
(ZT), which can be usually improved by enhancing the electrical transport properties and/or …

Slowing down the heat in thermoelectrics

B Qin, D Wang, LD Zhao - InfoMat, 2021 - Wiley Online Library
Heat transport has various applications in solid materials. In particular, the thermoelectric
technology provides an alternative approach to traditional methods for waste heat recovery …

Survey of ab initio phonon thermal transport

L Lindsay, C Hua, XL Ruan, S Lee - Materials Today Physics, 2018 - Elsevier
The coupling of lattice dynamics and phonon transport methodologies with density
functional theory has become a powerful tool for calculating lattice thermal conductivity (κ) …

Skutterudites, a most promising group of thermoelectric materials

G Rogl, P Rogl - Current opinion in green and sustainable chemistry, 2017 - Elsevier
Skutterudites, a most promising group of thermoelectric materials - ScienceDirect Skip to
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Extended Antibonding States and Phonon Localization Induce Ultralow Thermal Conductivity in Low Dimensional Metal Halide

P Acharyya, K Pal, A Ahad, D Sarkar… - Advanced Functional …, 2023 - Wiley Online Library
Thermal conductivity, which measures the ease at which heat passes through a crystalline
solid, is controlled by the nature of the chemical bonding and periodicity in the solid. This …

Defect-dominated phonon scattering processes and thermal transports of ferroelastic (Sm1-XYbX) TaO4 solid solutions

L Chen, M Hu, J Feng - Materials Today Physics, 2023 - Elsevier
Thermal transport management is of great significance for materials such as thermal barrier
coatings, photovoltaics, and thermoelectrics. In particular, tremendous efforts have been …

Thermoelectricity in correlated narrow-gap semiconductors

JM Tomczak - Journal of Physics: Condensed Matter, 2018 - iopscience.iop.org
We review many-body effects, their microscopic origin, as well as their impact on
thermoelectricity in correlated narrow-gap semiconductors. Members of this class—such as …

[HTML][HTML] Significantly reinforced thermoelectric performance in the novel 1T-Au6Se2 monolayer

J Yue, A Zhang, J Li, Y Liu, T Cui - APL Materials, 2023 - pubs.aip.org
Ultra-low lattice thermal conductivity has long been a requirement for the high thermoelectric
properties of materials. In this work, the novel 1T-Au 6 Se 2 monolayer was obtained by …

An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library

JJ Plata, P Nath, D Usanmaz, J Carrete… - npj Computational …, 2017 - nature.com
One of the most accurate approaches for calculating lattice thermal conductivity,, is solving
the Boltzmann transport equation starting from third-order anharmonic force constants. In …

Thermoelectric transport properties of rock-salt SnSe: first-principles investigation

D Wang, W He, C Chang, G Wang, J Wang… - Journal of Materials …, 2018 - pubs.rsc.org
Recently, orthorhombic SnSe has aroused extensive attention due to its promising
thermoelectric performance. Using first-principles calculations, we investigate the …