The bonding properties of UTX compounds having the hexagonal ZrNiAl-type structure display a pronounced anisotropy. The compressibility and thermal expansion reach values several times higher for the basal plane than along the c-axis. This situation also occurs for the Th-containing counterparts, whereas it is absent in isostructural materials based on rare earths. This phenomenon can be attributed to the participation of the delocalized 5f states in the bonding, leading to compression of the 5f charge towards the basal plane. This scenario has been investigated theoretically by ab-initio band structure calculations performed for URhAl.
All Science Journal Classification (ASJC) codes
- Mechanics of Materials
- Mechanical Engineering
- Metals and Alloys
- Materials Chemistry