Charge Fluctuations and the Valence Transition in Yb under Pressure

Ylvisaker, E R; Kunes, J; McMahan, A K; Pickett, W E

doi:10.1103/PhysRevLett.102.246401

Title: Charge Fluctuations and the Valence Transition in Yb under Pressure

Journal Article · Tue Apr 21 00:00:00 EDT 2009 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.102.246401· OSTI ID:964066

Ylvisaker, E R; Kunes, J; McMahan, A K; Pickett, W E

We present a dynamical mean field theory study of the valence transition (f{sup 14} {yields} f{sup 13}) in elemental, metallic Yb under pressure. Our calculations reproduce the observed valence transition as reflected in the volume dependence of the 4f occupation. The transition is accelerated by heating, and suggests quasiparticle or Kondo-like structure in the spectra of the trivalent end state, consistent with the early lanthanides. Results for the local charge fluctuations and susceptibility, however, show novel signatures uniquely associated with the valence transition itself, indicating that Yb is a fluctuating valence material in contrast to the intermediate valence behavior seen in the early trivalent lanthanides Ce, Pr, and Nd.

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Research Organization:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: W-7405-ENG-48

OSTI ID:: 964066

Report Number(s):: LLNL-JRNL-412441; PRLTAO; TRN: US0904092

Journal Information:: Physical Review Letters, Vol. 102; ISSN 0031-9007

Country of Publication:: United States

Language:: English

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