The Origin of Ultralow Thermal Conductivity in InTe: Lone-Pair-Induced Anharmonic Rattling

Jana, Manoj K. ; Pal, Koushik ; Waghmare, Umesh V. ; Biswas, Kanishka (2016) The Origin of Ultralow Thermal Conductivity in InTe: Lone-Pair-Induced Anharmonic Rattling Angewandte Chemie International Edition, 55 (27). pp. 7792-7796. ISSN 14337851

Full text not available from this repository.

Official URL: http://doi.org/10.1002/anie.201511737

Related URL: http://dx.doi.org/10.1002/anie.201511737

Abstract

Understanding the origin of intrinsically low thermal conductivity is fundamentally important to the development of high-performance thermoelectric materials, which can convert waste-heat into electricity. Herein, we report an ultralow lattice thermal conductivity (ca. 0.4 W m−1 K−1) in mixed valent InTe (that is, In+In3+Te2), which exhibits an intrinsic bonding asymmetry with coexistent covalent and ionic substructures. The phonon dispersion of InTe exhibits, along with low-energy flat branches, weak instabilities associated with the rattling vibrations of In+ atoms along the columnar ionic substructure. These weakly unstable phonons originate from the 5s2 lone pair of the In+ atom and are strongly anharmonic, which scatter the heat-carrying acoustic phonons through strong anharmonic phonon–phonon interactions, as evident in anomalously high mode Grüneisen parameters. A maximum thermoelectric figure of merit (z T) of about 0.9 is achieved at 600 K for the 0.3 mol % In-deficient sample, making InTe a promising material for mid-temperature thermoelectric applications.

Item Type:Article
Source:Copyright of this article belongs to John Wiley & Sons, Inc.
ID Code:128074
Deposited On:03 Nov 2022 05:42
Last Modified:03 Nov 2022 05:42

Repository Staff Only: item control page