DSpace Repository

Absence of ferromagnetic interaction in Co-Co nearest neighbor impurity pairs in ZnO: An analysis from GGA+U studies

Show simple item record

dc.contributor.author Nayak S.K. en_US
dc.contributor.author Ney A. en_US
dc.contributor.author Gruner M.E. en_US
dc.contributor.author Tripathi G.S. en_US
dc.contributor.author Behera S.N. en_US
dc.contributor.author Entel P. en_US
dc.date.accessioned 2020-01-13T05:19:47Z
dc.date.available 2020-01-13T05:19:47Z
dc.date.issued 2011
dc.identifier.citation 2 en_US
dc.identifier.uri http://dx.doi.org/10.1063/1.4736900
dc.identifier.uri http://10.10.32.48:8080/jspui/handle/2008/94
dc.description.abstract We study the magnetic interactions of Co doped in ZnO, with the Co atoms occupying the nearest neighbor cation sites. We perform electronic structure calculations using the local density approximation (LDA), generalized gradient approximation (GGA), and GGA+U. The Hubbard U is treated separately on d-orbitals of Zn and Co, and simultaneously on the d-orbitals of both Zn and Co. Results of GGA+U studies confirm that the nearest neighbor Co-Co pair favor antiferromagnetic interaction, where the Co spins align oppositely. This is different from the LDA and GGA predictions. A general comparison of our results with experiments shows fairly good agreement. � 2012 American Institute of Physics. en_US
dc.language.iso en en_US
dc.subject Cobalt doped zinc oxide en_US
dc.subject Density functional theory en_US
dc.subject Generalized gradient approximation plus Hubbard correlation (GGA+U) en_US
dc.title Absence of ferromagnetic interaction in Co-Co nearest neighbor impurity pairs in ZnO: An analysis from GGA+U studies en_US
dc.type Article en_US


Files in this item

Files Size Format View

There are no files associated with this item.

This item appears in the following Collection(s)

Show simple item record

Search DSpace


Advanced Search

Browse

My Account