Abstract
The crystallographic and electronic structure of UFe2Al10 was studied as a function of pressure by combining X-ray diffraction results with the full potential linearized augmented plane wave (LAPW) calculations method. The volume-pressure reduction measured at 23.5 GPa is V/V0 = 0.87, with a B0 value of 132 ± 8 GPa. The uranium 5f electrons in this compound are located in a narrow and well-defined band above EFermi, having a very weak interaction with the iron 3d band located below EFermi. Consequently, the DOS at EFermi is close to zero, indicating a close to zero-magnetic moment of the uranium atom at low temperature up to a pressure of 23.5 GPa, as expected from the layered crystallographic structure of this compound. The above assumption is supported by preliminary neutron diffraction data, where no long-range magnetic order was detected down to 3 K.
| Original language | English |
|---|---|
| Pages (from-to) | 21-24 |
| Number of pages | 4 |
| Journal | Journal of Alloys and Compounds |
| Volume | 419 |
| Issue number | 1-2 |
| DOIs | |
| State | Published - 10 Aug 2006 |
| Externally published | Yes |
Keywords
- Actinides
- LAPW
- Pressure
- ThMn
ASJC Scopus subject areas
- Mechanics of Materials
- Mechanical Engineering
- Metals and Alloys
- Materials Chemistry