Change of Fermi Surface Topology in CeRu2Si2 Studied by LSDA plus U Method
2010 (English)In: Journal of the Physical Society of Japan, ISSN 0031-9015, Vol. 79, no 2, 024705- p.Article in journal (Refereed) Published
The detailed electronic structures of CeRu2Si2 have been investigated for a nonmagnetic state and a magnetic state under magnetic fields by in 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 LaRu2Si2. As for CeRu2Si2, the LDA calculation Lids to predict the nonmagnetic round state, which is experimentally reported to be Mainly occupied by vertical bar j = 5/2.j(z) = +/- 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.
Place, publisher, year, edition, pages
2010. Vol. 79, no 2, 024705- p.
CeRu2Si2, LaRu2Si2, Fermi surface, heavy fermion system, metamagnetic transition, LSDA plus U method
IdentifiersURN: urn:nbn:se:uu:diva-136739DOI: 10.1143/JPSJ.79.024705ISI: 000274873100025OAI: oai:DiVA.org:uu-136739DiVA: diva2:378811