Off‐Centering of Ge Atoms in GeBi2Te4 and Impact on Thermoelectric Performance
Source abstract
Abstract
Abstract The crystal structure and transport properties of GeBi2Te4 are investigated as a layered compound with potential applications as thermoelectric materials. A disordered arrangement of Ge and Bi atoms in a septuple‐layer structure is discovered through synchrotron radiation X‐ray diffraction and transmission electron microscopy. Neutron pair distribution function analysis revealed the presence of discordant Ge atoms with an off‐centering distance of 0.12 Å at 300 K. The thermal conductivity of GeBi2Te4 is very low due to the strong phonon scattering. This is a result of the three Einstein local oscillators coupled with the disordered arrangement of atoms. This study also explores further the structural characteristics of these materials and their associated phonon scattering processes. The effect of Sb substitution for Ge on the electrical transport properties of the sample is profound, resulting in a change from p‐type to n‐type conduction. An enhanced thermoelectric figure of merit (ZT) of 0.45 at 523 K in the in‐plane direction is obtained. This research provides valuable insights into the crystal structure and transport properties of GeBi2Te4, showcasing its promising role as a thermoelectric material with potential for near‐room‐temperature applications.
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Research context
OpenAlex topics: Advanced Thermoelectric Materials and Devices · Topological Materials and Phenomena · Thermal properties of materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
School of Materials Science and Engineering Nanyang Technological University Singapore 639798 Singapore
State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University Xi'an 710049 China
Neutron Scattering Division Oak Ridge National Laboratory Oak Ridge Tennessee 37831 USA
Department of Materials Science and Engineering Northwestern University Evanston Illinois 60208 USA
State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and Engineering Tsinghua University Beijing 100084 China
CAS Key Laboratory of Standardization and Measurement for Nanotechnology CAS Center for Excellence in Nanoscience National Centre for Nanoscience and Technology Beijing 100190 China
Institute of Materials Research and Engineering (IMRE) Agency for Science Technology and Research (A*STAR) 2 Fusionopolis Way, Innovis #08‐03 Singapore 138634 Republic of Singapore
Department of Chemistry Northwestern University Evanston Illinois 60208 USA
Funding
National Key Research and Development Program of China · National Natural Science Foundation of China · State of Illinois
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