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

Research output: Contribution to journalArticle

13 Citations (Scopus)

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 languageEnglish
Pages (from-to)654-658
Number of pages5
JournalPhysical Review B
Volume34
Issue number2
DOIs
Publication statusPublished - 1986

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Rare Earth Metals
Electronic properties
Rare earths
Structural properties
rare earth elements
Metals
electronics
metals
Tin
Electrons
Band structure
Ground state
tin
electrons
Crystal structure
orbitals
crystal structure
ground state
approximation
energy

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Electronic and structural properties of Lu under pressure : Relation to structural phases of the rare-earth metals. / Min, B. I.; Oguchi, T.; Jansen, H. J F; Freeman, Arthur J.

In: Physical Review B, Vol. 34, No. 2, 1986, p. 654-658.

Research output: Contribution to journalArticle

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