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

Michi To Suzuki, Hisatomo Harima

Research output: Contribution to journalArticlepeer-review

37 Citations (Scopus)

Abstract

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
Volume79
Issue number2
DOIs
Publication statusPublished - 2010 Feb
Externally publishedYes

Keywords

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

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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