Leveraging Polymorphism in YbCuBi to Map Transport and Elastic Properties.

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 tr

SUBMITTER: Shawon AKMA 

PROVIDER: S-EPMC12895387 | biostudies-literature | 2026 Feb

REPOSITORIES: biostudies-literature