Change of Fermi surface topology in CeRu2Si2 studied by LSDA+U method

Michi To Suzuki, Hisatomo Harima

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39 Citations (Scopus)


The detailed electronic structures of CeRu2Si2 have been investigated for a nonmagnetic state and a magnetic state under magnetic fields by an LSDA+U method. It is found that the Si position in the crystal structure is an essential parameter to reproduce precise topology of the experimentally determined Fermi surfaces of non-f reference LaRu 2Si2. As for CeRu2Si2, the LDA calculation fails to predict the nonmagnetic ground state, which is experimentally reported to be mainly occupied by |j = 5/2, jz = ±5/2) orbitals, and the Fermi surfaces. The nonmagnetic case solution of LSDA+U method greatly improves the electronic structure in the nonmagnetic CeRu2Si2. An LSDA+U method is also applied to investigate the electronic structure under applied magnetic fields, then the change of the so-called large Fermi surfaces to small Fermi surfaces is successfully described.

Original languageEnglish
Article number024705
JournalJournal of the Physical Society of Japan
Issue number2
Publication statusPublished - 2010 Feb


  • CeRuSi
  • Fermi surface
  • Heavy fermion system
  • LaRuSi
  • LSDA+U method
  • Metamagnetic transition


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