DOI > 10.5291/ILL-DATA.7-01-557

This proposal is publicly available since 06/30/2026

Title

Probing phonon anharmonicity of pure and doped InTe thermoelectrics with inelastic neutron scattering

Abstract

To design efficient thermoelectric materials for waste heat harvesting applications it is essential to understand the origin of low lattice thermal conductivity at the atomic level. InTe, showing a chain-like structure with In1+ ions loosely bound to a cage-like system, has been considered as a promising thermoelectric material due to its ultralow lattice thermal conductivity. However, the mechanism behind the ultralow thermal conductivity remains largely unclear. Using inelastic neutron scattering technique, this proposal will study phonon density of states of pure and doped InTe powdered samples. By combining with theoretical calculations, we aim to reveal the impact of rattling phonon modes induced by the loosely bound In1+ ions on the phonon anharmonicity and lattice thermal conductivity. The results of this project will unravel the underlying microscopic origin of the ultralow lattice thermal conductivity, which will provide insights into the design of efficient thermoelectric materials.

Experimental Report

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Data Citation

The recommended format for citing this dataset in a research publication is in the following format:

ZHANG Jiawei; IVERSEN Bo Brummerstedt; KOZA Michael Marek and SONG Lirong. (2021). Probing phonon anharmonicity of pure and doped InTe thermoelectrics with inelastic neutron scattering. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.7-01-557

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Metadata

Experiment Parameters

  • Environment temperature

    1.5-700 K
  • Experiment energy

    50 and 12.5 meV
  • Experiment res energy

    3 and 0.625 meV

Sample Parameters

  • Formula

    • In0.99Na0.01Te
    • In0.99Pb0.01Te
    • In0.99Al0.01Te
    • InTe