Abstract
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.
Original language | English |
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Pages (from-to) | 7-13 |
Number of pages | 7 |
Journal | Journal of Alloys and Compounds |
Volume | 322 |
Issue number | 1-2 |
DOIs | |
Publication status | Published - 2001 Jun 28 |
Externally published | Yes |
Keywords
- Actinide compounds
- Electronic band structure
- High pressure
- Thermal expansion
- Transition metal compounds
ASJC Scopus subject areas
- Mechanics of Materials
- Mechanical Engineering
- Metals and Alloys
- Materials Chemistry