title: Multi-localization transport behaviour in bulk thermoelectric materials.
abstract: Simultaneously optimizing electrical and thermal transport properties of bulk thermoelectric materials remains a key challenge due to the conflicting combination of material traits. Here, we have explored the electrical and thermal transport features of In-filled CoSb3 through X-ray absorption fine structure, X-ray photoemission spectra, transport measurement and theoretical calculation. The results provide evidence of three types of coexisting multi-localization transport behaviours in the material; these are heat-carrying phonon-localized resonant scattering, accelerated electron movement and increase in density of states near the Fermi level. The 5p-orbital hybridization between In and Sb is discovered in the In-filled CoSb3 compound, which results in a charge transfer from Sb to In and the enhancement of p-d orbital hybridization between Co and Sb. Our work demonstrates that the electrical and thermal properties of filled skutterudite bulk thermoelectric materials can be simultaneously optimized through the three types of coexisting multi-localization transport behaviours in an independent way.
authors: State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China.
authors: Wenyu
authors: W
authors: Zhao
authors: 1] State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China [2] Materials Science and Engineering Department, University of Washington, Seattle, Washington 98195, USA.
authors: Ping
authors: P
authors: Wei
authors: State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China.
authors: Qingjie
authors: Q
authors: Zhang
authors: School of Physics, State key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China.
authors: Hua
authors: H
authors: Peng
authors: State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China.
authors: Wanting
authors: W
authors: Zhu
authors: State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China.
authors: Dingguo
authors: D
authors: Tang
authors: State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China.
authors: Jian
authors: J
authors: Yu
authors: State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China.
authors: Hongyu
authors: H
authors: Zhou
authors: State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China.
authors: Zhiyuan
authors: Z
authors: Liu
authors: State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China.
authors: Xin
authors: X
authors: Mu
authors: State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China.
authors: Danqi
authors: D
authors: He
authors: School of Physics, State key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China.
authors: Jichao
authors: J
authors: Li
authors: School of Physics, State key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China.
authors: Chunlei
authors: C
authors: Wang
authors: State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China.
authors: Xinfeng
authors: X
authors: Tang
authors: Materials Science and Engineering Department, University of Washington, Seattle, Washington 98195, USA.
authors: Jihui
authors: J
authors: Yang
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