Charge fluctuations and the valence transition in Yb under pressure

• Published in: Physical review letters Vol. 102; no. 24; p. 246401
• Main Authors: Ylvisaker, E R, Kunes, J, McMahan, A K, Pickett, W E
• Format: Journal Article
• Language: English
• Published: United States 19.06.2009
• ISSN: 0031-9007
• DOI: 10.1103/physrevlett.102.246401

We present a dynamical mean-field theory study of the valence transition (f;{14} --> f;{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 advanced 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 with the intermediate valence behavior seen in the early trivalent lanthanides Ce, Pr, and Nd.