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Theoretical Prediction and Spectroscopic Fingerprints of an Orbital Transition in CeCu2Si2
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, The Institute of Technology. Ecole Polytech, France.
Ecole Polytech, France .
Ecole Polytech, France .
Ecole Polytech, France Coll France, France University of Geneva, Switzerland .
2014 (English)In: Physical Review Letters, ISSN 0031-9007, Vol. 112, no 10, 106407- p.Article in journal (Refereed) Published
Abstract [en]

We show that the heavy-fermion compound CeCu2Si2 undergoes a transition between two regimes dominated by different crystal-field states. At low pressure P and low temperature T the Ce 4f electron resides in the atomic crystal-field ground state, while at high P or T, the electron occupancy and spectral weight is transferred to an excited crystal-field level that hybridizes more strongly with itinerant states. These findings result from first-principles dynamical-mean-field-theory calculations. We predict experimental signatures of this orbital transition in x-ray spectroscopy. The corresponding fluctuations may be responsible for the second high-pressure superconducting dome observed in this and similar materials.

Place, publisher, year, edition, pages
American Physical Society , 2014. Vol. 112, no 10, 106407- p.
National Category
Engineering and Technology
URN: urn:nbn:se:liu:diva-106021DOI: 10.1103/PhysRevLett.112.106407ISI: 000332690700006OAI: diva2:712944
Available from: 2014-04-17 Created: 2014-04-17 Last updated: 2014-04-22

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