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Phys. Rev. Lett. 102, 246401 (2009) [4 pages]

Charge Fluctuations and the Valence Transition in Yb under Pressure

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E. R. Ylvisaker1, J. Kuneš2,3, A. K. McMahan4, and W. E. Pickett1
1Department of Physics, University of California, Davis, California, 95616, USA
2Theoretical Physics III, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, Augsburg 86135, Germany
3Institute of Physics, Academy of Sciences of the Czech Republic, Cukrovarnická 10, 162 53 Praha 6, Czech Republic
4Lawrence Livermore National Laboratory, Livermore, California 94550-9234, USA

Received 20 April 2009; published 15 June 2009

We present a dynamical mean-field theory study of the valence transition (f14f13) 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.

© 2009 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.102.246401
DOI:
10.1103/PhysRevLett.102.246401
PACS:
71.20.Eh, 74.40.+k, 75.20.Hr