U ternaries with ZrNiAl structure - Lattice properties

L. Havela, M. Diviš, V. Sechovský, A. V. Andreev, F. Honda, G. Oomi, Y. Méresse, S. Heathman

Research output: Contribution to journalArticlepeer-review

42 Citations (Scopus)


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 languageEnglish
Pages (from-to)7-13
Number of pages7
JournalJournal of Alloys and Compounds
Issue number1-2
Publication statusPublished - 2001 Jun 28
Externally publishedYes


  • 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


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