Abstract
Ground-state electronic and structural properties of Lu under pressure are investigated with use of the self-consistent all-electron total-energy linear muffin-tin orbital band-structure method within a local-density-functional approximation. Pressure-induced structural transitions are found to occur in the following sequence: hcp(Sm-type)dhcpfcc, which is the same as that observed in the crystal structures of the trivalent rare-earth metals with decreasing atomic number. This structural transition is correlated with the increase in the number of d electrons under pressure.
| Original language | English |
|---|---|
| Pages (from-to) | 654-658 |
| Number of pages | 5 |
| Journal | Physical Review B |
| Volume | 34 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - 1986 |
ASJC Scopus subject areas
- Condensed Matter Physics
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Min, B. I., Oguchi, T., Jansen, H. J. F., & Freeman, A. J. (1986). Electronic and structural properties of Lu under pressure: Relation to structural phases of the rare-earth metals. Physical Review B, 34(2), 654-658. https://doi.org/10.1103/PhysRevB.34.654