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Leveraging Polymorphism in YbCuBi to Map Transport and Elastic Properties
A K M Ashiquzzaman Shawon1,2, George Yumnam2, Hsin Wang2
1Department of Chemical Engineering and Materials Science, Michigan State University, East Lansing, Michigan 48824, United States.
Chemistry of Materials : a Publication of the American Chemical Society
|February 16, 2026
Summary
Structural changes in YbCuBi Zintl compounds directly impact their thermal properties. Corrugation of the honeycomb lattice influences elastic and thermal transport, offering insights for designing new functional materials.
Area of Science:
- Materials Science
- Solid State Physics
- Crystallography
Background:
- AMX Zintl compounds exhibit unique properties due to their honeycomb sublattice.
- Vacancy tolerance and low thermal conductivity are key features of these materials.
Purpose of the Study:
- Investigate the structure-property relationship in AMX Zintl compounds using YbCuBi as a model.
- Elucidate the effect of temperature-dependent polymorphism on elastic and thermal transport properties.
Main Methods:
- Inelastic neutron scattering and resonant ultrasound spectroscopy were employed.
- First-principles calculations and thermal conductivity measurements complemented experimental data.
Main Results:
- YbCuBi exhibits a structural transition below 410 K, altering its layer structure from flat to corrugated.
- A direct correlation was found between honeycomb lattice corrugation and changes in elastic and thermal transport properties.
Conclusions:
- The crystallographic transition in YbCuBi significantly affects its physical properties.
- Understanding lattice corrugation is crucial for designing Zintl phases with tailored thermal conductivity.
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