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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 Golberg, Zhi‐Gang Chen

2025Nature Communications17 citationsDOIOpen Access PDF

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. Exemplified by Bi0.4Sb1.6Te3, the authors reveal the reason for low thermal conductivity induced by compositional inhomogeneity lies in randomly aligned edge dislocations induced by random composition distribution.

Topics & Concepts

Thermal conductivityMaterials scienceEnhanced Data Rates for GSM EvolutionThermalWork (physics)Thermoelectric effectOrientation (vector space)Temperature gradientComposition (language)Condensed matter physicsThermoelectric materialsConductivityThermal conductionThermal energyChemical physicsThermal diffusivityPerspective (graphical)Thermal properties of materialsAdvanced Thermoelectric Materials and DevicesTopological Materials and Phenomena
Alignment of edge dislocations – the reason lying behind composition inhomogeneity induced low thermal conductivity | Litcius