Electronic structure of LaFe1-xCoxAsO from first principle calculations

Simple item page
dc.creatorLi, Haiming
dc.creatorLi, Jiong
dc.creatorZhang, Shuo
dc.creatorChu, Wangsheng
dc.creatorChen, Dongliang
dc.creatorWu, Ziyu
dc.date2008-07-20
dc.date2008-08-06
dc.date.accessioned2026-07-07T09:54:41Z
dc.date.available2026-07-07T09:54:41Z
dc.descriptionBased on the first-principles calculations, we have investigated the geometry, binding properties, density of states and band structures of the novel superconductor LaFe1-xCoxAsO and its parent compounds with the ZrCuSiAs structure. We demonstrate that La-O bond and TM-As (TM=Fe or Co) bond are both strongly covalent, while the LaO and TMAs layers have an almost ionic interaction through the Bader charge analysis. Partial substitution of iron with cobalt modify the Fermi level from a steep edge to a flat slope, which explains why in this system Co doping suppresses the spin density wave (SDW) transition.
dc.description18 pages, 6 figures
dc.identifierhttps://arxiv.org/abs/0807.3153
dc.identifierhttp://arxiv.org/abs/0807.3153
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/166404
dc.subjectSuperconductivity
dc.subjectMaterials Science
dc.titleElectronic structure of LaFe1-xCoxAsO from first principle calculations
dc.typetext

Files

Collections

arXiv