Leveraging Polymorphism in YbCuBi to Map Transport and Elastic Properties
A. K. M. Ashiquzzaman Shawon, George Yumnam, Hsin Wang, Qiang Zhang, Douglas L. Abernathy, Michael E. Manley, Jose L. Mendoza-Cortes, Raphaël P. Hermann, Alexandra Zevalkink
TL;DR
This study explores how structural changes in YbCuBi affect its thermal and elastic properties, offering insights for designing materials with tailored thermal behavior.
Contribution
The paper reveals a direct link between honeycomb lattice corrugation and changes in elastic and thermal transport properties in Zintl compounds.
Findings
YbCuBi undergoes a structural transition below 410 K, distorting its centrosymmetric structure.
Corrugation of the honeycomb lattice correlates with changes in thermal and elastic properties.
Findings provide a framework for designing functional materials with controlled thermal behavior.
Abstract
AMX Zintl compounds with the hexagonal ZrBeSi structure have gained significant attention for their remarkable vacancy tolerance and low thermal conductivity. Their 2D honeycomb sublattice, composed of M–X covalent bonds, is believed to contribute to high anharmonicity and unusual thermal transport properties. In this study, we explore the temperature-dependent polymorphism of YbCuBi as a model system to investigate the relationship between the structure and elastic and thermal transport properties in AMX Zintls. YbCuBi undergoes a structural transition from the “flat” Cu–Bi layers in the ZrBeSi structure to corrugated layers in the LiGaGe structure below 410 K, resulting in a distortion of its centrosymmetric structure. To probe the effects of this crystallographic transition, we employ inelastic neutron scattering and temperature-dependent resonant ultrasound spectroscopy. These…
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Taxonomy
TopicsAdvanced Thermoelectric Materials and Devices · Thermal properties of materials · Thermal Expansion and Ionic Conductivity