Electronic and structural properties of Lu under pressure: Relation to structural phases of the rare-earth metals

B. I. Min, T. Oguchi, H. J F Jansen, Arthur J Freeman

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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 languageEnglish
Pages (from-to)654-658
Number of pages5
JournalPhysical Review B
Issue number2
Publication statusPublished - 1986


ASJC Scopus subject areas

  • Condensed Matter Physics

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