Magnetism in 3d transition metal doped SnO

Handle URI:
http://hdl.handle.net/10754/622425
Title:
Magnetism in 3d transition metal doped SnO
Authors:
Albar, Arwa ( 0000-0001-7547-5105 ) ; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
Using 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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Citation:
Albar 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.
Publisher:
Royal Society of Chemistry (RSC)
Journal:
J. Mater. Chem. C
Issue Date:
12-Sep-2016
DOI:
10.1039/c6tc03530b
Type:
Article
ISSN:
2050-7526; 2050-7534
Sponsors:
The research reported in this publication was supported by funding from the King Abdullah University of Science and Technology (KAUST).
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorAlbar, Arwaen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2017-01-02T09:28:30Z-
dc.date.available2017-01-02T09:28:30Z-
dc.date.issued2016-09-12en
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.en
dc.identifier.issn2050-7526en
dc.identifier.issn2050-7534en
dc.identifier.doi10.1039/c6tc03530ben
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.en
dc.description.sponsorshipThe research reported in this publication was supported by funding from the King Abdullah University of Science and Technology (KAUST).en
dc.publisherRoyal Society of Chemistry (RSC)en
dc.titleMagnetism in 3d transition metal doped SnOen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalJ. Mater. Chem. Cen
kaust.authorAlbar, Arwaen
kaust.authorSchwingenschlögl, Udoen
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