Show simple item record

dc.contributor.authorAlbar, Arwa
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2017-01-02T09:28:30Z
dc.date.available2017-01-02T09:28:30Z
dc.date.issued2016
dc.identifier.citationAlbar A, Schwingenschlögl U (2016) Magnetism in 3d transition metal doped SnO. J Mater Chem C 4: 8947–8952. Available: http://dx.doi.org/10.1039/c6tc03530b.
dc.identifier.issn2050-7526
dc.identifier.issn2050-7534
dc.identifier.doi10.1039/c6tc03530b
dc.identifier.urihttp://hdl.handle.net/10754/622425
dc.description.abstractUsing first principles calculations, we investigate the structural and electronic properties of 3d transition metal doped SnO. We examine the stability of different doping sites using formation energy calculations. The magnetic behavior of the dopant atoms is found to be complex because of interplay between strong structural relaxation, spin-lattice coupling, and crystal field splitting. The interaction between dopant atoms is analyzed as a function of their separation, showing that clustering typically counteracts spin polarization. An exception is found for V doping, which thus turns out to be a promising candidate for realizing a magnetic p-type oxide.
dc.description.sponsorshipThe research reported in this publication was supported by funding from the King Abdullah University of Science and Technology (KAUST).
dc.publisherRoyal Society of Chemistry (RSC)
dc.titleMagnetism in 3d transition metal doped SnO
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalJ. Mater. Chem. C
kaust.personAlbar, Arwa
kaust.personSchwingenschlögl, Udo


This item appears in the following Collection(s)

Show simple item record