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 language | English |
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Article number | 024705 |
Journal | journal of the physical society of japan |
Volume | 79 |
Issue number | 2 |
DOIs | |
Publication status | Published - 2010 Feb |
Externally published | Yes |
Keywords
- CeRuSi
- Fermi surface
- Heavy fermion system
- LSDA+U method
- LaRuSi
- Metamagnetic transition
ASJC Scopus subject areas
- Physics and Astronomy(all)