Delocalized Ag−Ag dimer rattling mode contributes to reduced thermal conductivity and enhanced thermoelectric performance in AgAs2

Delocalized Ag−Ag dimer rattling mode contributes to reduced thermal conductivity and enhanced thermoelectric performance in AgAs2

Layered thermoelectric materials inherently feature a decoupling of electron and phonon transport, attributed to the high electrical conductivity within the covalent atomic layers and the increased phonon scattering at the layer boundaries. However, the weak atomic interactions along the out-of-plan...

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Bibliographic Details
Main Authors: Jie Zhang, Minghao Zhan, Wending Wang, Xiaohong Xia, Yun Gao, Zhongbing Huang
Format: Article
Language:English
Published: Elsevier 2025-06-01
Series:Results in Physics
Subjects:
Arsenide compounds (RuAs4, SrAs4 and AgAs2)
Single rattling atoms or dimer cluster
Delocalized bonding interactions
Multivalley band structure
Thermoelectric performance
First-principles calculations
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379725001792
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