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 (US) |
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Pages (from-to) | 654-658 |
Number of pages | 5 |
Journal | Physical Review B |
Volume | 34 |
Issue number | 2 |
DOIs | |
State | Published - 1986 |
ASJC Scopus subject areas
- Condensed Matter Physics