A method to include the spin-fluctuation in the ab-initio electronic-structure calculation

Simple item page
dc.creatorKotani, Takao
dc.creatorAkai, Hisazumi
dc.date2003-02-04
dc.date.accessioned2026-07-07T02:49:31Z
dc.date.available2026-07-07T02:49:31Z
dc.descriptionWe present a new method of ab-initio electronic-structure calculation including the spin-fluctuation (SF) self-consistently. We start from the Luttinger-Ward functional given as the sum of the LDA functional plus the temperature-dependent part of the SF energy functional. The size of interactions used in it are determined in a similar manner to the self-consistent renormalization theory by Moriya and Kawabata. Obtained paramagnetic susceptibilities on Pd, Ni, Fe, and fcc-Co above $T_c$ show rather good agreements with experiments.
dc.identifierhttps://arxiv.org/abs/cond-mat/0302064
dc.identifierhttp://arxiv.org/abs/cond-mat/0302064
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/20829
dc.subjectStrongly Correlated Electrons
dc.subjectMaterials Science
dc.titleA method to include the spin-fluctuation in the ab-initio electronic-structure calculation
dc.typetext

Files

Collections

arXiv