Modelling noncollinear spin structure in YNiO3 perovskite: a GGA+U APW approach

In this work we compute the magnetic spin structure of the YNiO3 perovskite using the noncollinear APW implementation of WIEN2K. We compare LDA+U, GGA+U results to experimental results and find an improvement in comparison to previous theoretical work supposing an antiferromagnetic collinear alignme...

Full description

Saved in:
Bibliographic Details
Published inJournal of physics. Conference series Vol. 289; no. 1; p. 012002
Main Authors Szwaja, Malgorzata, Calvayrac, Florent
Format Journal Article
LanguageEnglish
Published Bristol IOP Publishing 01.04.2011
Subjects
Antiferromagnetism
Perovskites
Physics
Spin structure
Online AccessGet full text

Cover

More Information
Summary:In this work we compute the magnetic spin structure of the YNiO3 perovskite using the noncollinear APW implementation of WIEN2K. We compare LDA+U, GGA+U results to experimental results and find an improvement in comparison to previous theoretical work supposing an antiferromagnetic collinear alignment of the magnetic momenta.
ISSN:1742-6596
1742-6588
1742-6596
DOI:10.1088/1742-6596/289/1/012002