Alignment of edge dislocations – the reason lying behind composition inhomogeneity induced low thermal conductivity

Siqi Liu, Wei-Di Liu (), Wanyu Lyu, Liang-Cao Yin, Yicheng Yue, Han Gao, Meng Li, Xiao-Lei Shi, Qingfeng Liu, Ning Wang (), James D. Riches, Dmitri V. Golberg and Zhi-Gang Chen ()
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Siqi Liu: Queensland University of Technology
Wei-Di Liu: Queensland University of Technology
Wanyu Lyu: Queensland University of Technology
Liang-Cao Yin: Nanjing Tech University
Yicheng Yue: Queensland University of Technology
Han Gao: Queensland University of Technology
Meng Li: Queensland University of Technology
Xiao-Lei Shi: Queensland University of Technology
Qingfeng Liu: Nanjing Tech University
Ning Wang: Qingdao University of Science and Technology
James D. Riches: Queensland University of Technology
Dmitri V. Golberg: Queensland University of Technology
Zhi-Gang Chen: Queensland University of Technology

Nature Communications, 2025, vol. 16, issue 1, 1-8

Abstract: Abstract Compositional inhomogeneity in a material can result in low thermal conductivity, benefiting applications such as thermoelectric energy conversion, energy gas storage, and thermal barrier coating. However, current understanding remains limited to effective thermal conductivity models, which largely overlook detailed structural features of the material. Here, taking Bi0.4Sb1.6Te3 compound as a proof-of-concept material, we reveal that the true reason for low thermal conductivity determined by compositional inhomogeneity originates from randomly aligned edge dislocations. The random alignment of edge dislocations is consistent with the alignment of composition distribution. This is because these edge dislocations are primarily gathered at composition gradient domains between domains with different compositions, having preferential orientation along the composition gradient direction. This work offers a structural perspective on the mechanism underlying reduced thermal conductivity due to compositional inhomogeneity, providing valuable insights for designing materials with tailored thermal properties.

Date: 2025
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DOI: 10.1038/s41467-025-64749-5

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