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Inorg Chem. 2015 Nov 02;54(21):10250-5. doi: 10.1021/acs.inorgchem.5b01534. Epub 2015 Oct 19.

Effect of Pressure on Valence and Structural Properties of YbFe2Ge2 Heavy Fermion Compound--A Combined Inelastic X-ray Spectroscopy, X-ray Diffraction, and Theoretical Investigation.

Inorganic chemistry

Ravhi S Kumar, Axel Svane, Ganapathy Vaitheeswaran, Venkatakrishnan Kanchana, Daniel Antonio, Andrew L Cornelius, Eric D Bauer, Yuming Xiao, Paul Chow

Affiliations

  1. Department of Physics and Astronomy and HiPSEC, University of Nevada Las Vegas , Las Vegas, Nevada 89154, United States.
  2. Department of Physics and Astronomy, Aarhus University , DK-8000 Aarhus C, Denmark.
  3. Advanced Centre of Research in High Energy Materials (ACRHEM), University of Hyderabad , Gachibowli, Hyderabad - 500 046, Telengana, India.
  4. Department of Physics, Indian Institute of Technology Hyderabad , Ordnance Factory Estate, Yeddumailaram - 502 205, Telengana, India.
  5. Los Alamos National Laboratory , P.O. Box 1663, MS K764, Los Alamos, New Mexico 87545, United States.
  6. HPCAT, Carnegie Institution of Washington and Advance Photon Source, Argonne National Laboratory , Argonne, Illinois 60439, United States.

PMID: 26479903 DOI: 10.1021/acs.inorgchem.5b01534

Abstract

The crystal structure and the Yb valence of the YbFe2Ge2 heavy fermion compound was measured at room temperature and under high pressures using high-pressure powder X-ray diffraction and X-ray absorption spectroscopy via both partial fluorescence yield and resonant inelastic X-ray emission techniques. The measurements are complemented by first-principles density functional theoretical calculations using the self-interaction corrected local spin density approximation investigating in particular the magnetic structure and the Yb valence. While the ThCr2Si2-type tetragonal (I4/mmm) structure is stable up to 53 GPa, the X-ray emission results show an increase of the Yb valence from v = 2.72(2) at ambient pressure to v = 2.93(3) at ∼9 GPa, where at low temperature a pressure-induced quantum critical state was reported.

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