Spin-Orbit Coupling and Ion Displacements in Multiferroic TbMnO3

Simple item page
dc.creatorXiang, H. J.
dc.creatorWei, Su-Huai
dc.creatorWhangbo, M. -H.
dc.creatorDa Silva, Juarez L. F.
dc.date2008-03-19
dc.date2008-07-18
dc.date.accessioned2026-07-07T09:50:49Z
dc.date.available2026-07-07T09:50:49Z
dc.descriptionThe electronic and magnetic properties of TbMnO3 leading to its ferroelectric (FE) polarization were investigated on the basis of relativistic density functional theory (DFT) calculations. In agreement with experiment, we show that the spin-spiral plane of TbMnO3 can be either the bc- or ab-plane, but not the ac-plane. As for the mechanism of FE polarization, our work reveals that the "pure electronic" model by Katsura, Nagaosa and Balatsky (KNB) is inadequate in predicting the absolute direction of FE polarization. For the ab-plane spin-spiral state of TbMnO3, the direction of FE polarization predicted by the KNB model is opposite to that predicted by DFT calculations. In determining the magnitude and the absolute direction of FE polarization in spin-spiral states, it is found crucial to consider the displacements of the ions from their ecntrosymmetric positions.
dc.identifierhttps://arxiv.org/abs/0803.2741
dc.identifierhttp://arxiv.org/abs/0803.2741
dc.identifierPhys. Rev. Lett. 101, 037209 (2008)
dc.identifierdoi:10.1103/PhysRevLett.101.037209
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/165076
dc.subjectMaterials Science
dc.subjectStrongly Correlated Electrons
dc.titleSpin-Orbit Coupling and Ion Displacements in Multiferroic TbMnO3
dc.typetext

Files

Collections

arXiv