Journal Article

FZJ-2023-01415

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Metavalent bonding impacts charge carrier transport across grain boundaries

Yu, Y. (Corresponding author) ; Wuttig, M.FZJ*

2023
Tsinghua University Press Beijing

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Please use a persistent id in citations: http://hdl.handle.net/2128/34424  doi:10.26599/NRE.2023.9120057

Abstract: Understanding the mechanisms underpinning the charge carrier scattering at grain boundaries is crucial to design thermoelectrics and other electronic materials. Yet, this is a very challenging task due to the complex characteristics of grain boundaries and the resulting difficulties in correlating grain boundary structures to local properties. Recent advances in characterizing charge transport across grain boundaries are reviewed, demonstrating how the microstructure, composition, chemical bonding and electrical properties of the same individual grain boundary can be correlated. A much higher potential barrier height is observed in high-angle grain boundaries. This can be ascribed to the larger number density of deep trapping states caused by the local collapse of metavalent bonding. A novel approach to study the influence of the local chemical bonding mechanism around defects on the resulting local properties is thus developed. The results provide insights into the tailoring of electronic properties of metavalently bonded compounds by engineering the characteristics of grain boundaries.

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Contributing Institute(s):

1. JARA Institut Green IT (PGI-10)

Research Program(s):

1. 5233 - Memristive Materials and Devices (POF4-523) (POF4-523)

Appears in the scientific report 2023

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