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Atomic Volume Effect on Electronic Structure and Magnetic Properties of UGa3 Compound

  • G. E. Grechnev
  • A. S. Panfilov
  • I. V. Svechkarev
  • A. Delin
  • O. Eriksson
  • B. Johansson
  • J. M. Wills
Chapter
Part of the NATO Science Series book series (ASHT, volume 55)

Abstract

The magnetic susceptibility x of the itinerant antiferromagnetic compound UGa3 has been studied experimentally under pressure up to 2 kbar in the temperature range 64–300 K. This study reveals a pronounced pressure effect on magnetic properties of UGa3 and the measured pressure derivative of the Néel temperature is found to be dT N/dP=-1.1 K/kbar. In order to analyze the experimental magnetovolume effect, to be specific dln x/dln V, the volume dependent electronic structure of UGa3 has been calculated ab initio in the paramagnetic phase by employing a relativistic full-potential LMTO method. The effect of the external magnetic field was included self-consistently by means of the Zeeman operator, as well as orbital polarization. The calculations have brought out a predominance of itinerant uranium 5f states at the Fermi energy, as well as large and competing orbital and spin contributions to x. The calculated field-induced magnetic moment of UGa3 and its volume derivative compare favorably with our experimental results.

Keywords

Magnetic Susceptibility Magnetic Phase Transition Orbital Polarization Spin Moment Orbital Moment 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer Science+Business Media Dordrecht 1998

Authors and Affiliations

  • G. E. Grechnev
    • 1
  • A. S. Panfilov
    • 1
  • I. V. Svechkarev
    • 1
  • A. Delin
    • 2
  • O. Eriksson
    • 2
  • B. Johansson
    • 2
  • J. M. Wills
    • 3
  1. 1.B. Verkin Institute for Low Temperature Physics and EngineeringKharkovUkraine
  2. 2.Condensed Matter Theory Group, Department of PhysicsUniversity of UppsalaUppsalaSweden
  3. 3.Los Alamos National LaboratoryCenter for Materials Science and Theoretical DivisionLos AlamosUSA

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