Structural origins of ultra-low glass-like thermal conductivity in AgGaGe3Se8

Fuente: arXiv
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Autori principali: Thorup, Peter Skjøtt, Stubkjær, Rasmus Baden, Huynh, Kim-Khuong, Ventrapati, Pavankumar, Vosegaard, Emilie Skytte, Iversen, Bo Brummerstedt
Natura: Preprint
Pubblicazione: 2024
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author Thorup, Peter Skjøtt
Stubkjær, Rasmus Baden
Huynh, Kim-Khuong
Ventrapati, Pavankumar
Vosegaard, Emilie Skytte
Iversen, Bo Brummerstedt
author_facet Thorup, Peter Skjøtt
Stubkjær, Rasmus Baden
Huynh, Kim-Khuong
Ventrapati, Pavankumar
Vosegaard, Emilie Skytte
Iversen, Bo Brummerstedt
contents Materials with a low thermal conductivity are important for a variety of applications such as thermal barrier coatings and thermoelectrics, and understanding the underlying mechanisms of low heat transport, and relating them to structural features, remains a central goal within material science. Here, we report on the ultra-low thermal conductivity of the quarternary silver chalcogenide AgGaGe3Se8 with a remarkable value of only 0.2 Wm-1K-1 at room temperature, and an unusual glass-like thermal behavior from 2 K to 700 K. The ultra-low thermal conductivity is linked to a disordered nature of Ag in the structure, displaying extremely large Ag atomic displacement parameters obtained from multi-temperature synchrotron powder X-ray scattering measurements, and Ag ionic conductivity at elevated temperatures. Additionally, signs of structural anharmonicity and soft bonding are evident from a low temperature Boson peak in the heat capacity and a low Debye temperature of 147 K.
format Preprint
id arxiv_https___arxiv_org_abs_2411_10738
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Structural origins of ultra-low glass-like thermal conductivity in AgGaGe3Se8
Thorup, Peter Skjøtt
Stubkjær, Rasmus Baden
Huynh, Kim-Khuong
Ventrapati, Pavankumar
Vosegaard, Emilie Skytte
Iversen, Bo Brummerstedt
Materials Science
Materials with a low thermal conductivity are important for a variety of applications such as thermal barrier coatings and thermoelectrics, and understanding the underlying mechanisms of low heat transport, and relating them to structural features, remains a central goal within material science. Here, we report on the ultra-low thermal conductivity of the quarternary silver chalcogenide AgGaGe3Se8 with a remarkable value of only 0.2 Wm-1K-1 at room temperature, and an unusual glass-like thermal behavior from 2 K to 700 K. The ultra-low thermal conductivity is linked to a disordered nature of Ag in the structure, displaying extremely large Ag atomic displacement parameters obtained from multi-temperature synchrotron powder X-ray scattering measurements, and Ag ionic conductivity at elevated temperatures. Additionally, signs of structural anharmonicity and soft bonding are evident from a low temperature Boson peak in the heat capacity and a low Debye temperature of 147 K.
title Structural origins of ultra-low glass-like thermal conductivity in AgGaGe3Se8
topic Materials Science
url https://arxiv.org/abs/2411.10738