Half-metallicity and giant magneto-optical Kerr effect in N-doped NaTaO3

Handle URI:
http://hdl.handle.net/10754/562303
Title:
Half-metallicity and giant magneto-optical Kerr effect in N-doped NaTaO3
Authors:
Saeed, Yasir ( 0000-0003-3080-7385 ) ; Singh, Nirpendra ( 0000-0001-8043-0403 ) ; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
We use density functional theory and the modified Becke-Johnson (mBJ) approach to analyze the electronic and magneto-optical properties of N-doped NaTaO 3. The mBJ results show a half-metallic nature of NaTaO 2N, in contrast to the generalized gradient approximation. We find a giant polar Kerr rotation of 2.16°at 725 nm wave length (visible region), much higher than in other half-metallic perovskites and the prototypical half-metal PtMnSb. We explain the physical origin of this unexpected property. © 2012 Elsevier B.V. All rights reserved.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Solar and Photovoltaic Engineering Research Center (SPERC); Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
Elsevier BV
Journal:
Chemical Physics Letters
Issue Date:
Sep-2012
DOI:
10.1016/j.cplett.2012.07.075
ARXIV:
arXiv:1311.3407
Type:
Article
ISSN:
00092614
Additional Links:
http://arxiv.org/abs/arXiv:1311.3407v1
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS); Solar and Photovoltaic Engineering Research Center (SPERC)

Full metadata record

DC FieldValue Language
dc.contributor.authorSaeed, Yasiren
dc.contributor.authorSingh, Nirpendraen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-08-03T10:00:06Zen
dc.date.available2015-08-03T10:00:06Zen
dc.date.issued2012-09en
dc.identifier.issn00092614en
dc.identifier.doi10.1016/j.cplett.2012.07.075en
dc.identifier.urihttp://hdl.handle.net/10754/562303en
dc.description.abstractWe use density functional theory and the modified Becke-Johnson (mBJ) approach to analyze the electronic and magneto-optical properties of N-doped NaTaO 3. The mBJ results show a half-metallic nature of NaTaO 2N, in contrast to the generalized gradient approximation. We find a giant polar Kerr rotation of 2.16°at 725 nm wave length (visible region), much higher than in other half-metallic perovskites and the prototypical half-metal PtMnSb. We explain the physical origin of this unexpected property. © 2012 Elsevier B.V. All rights reserved.en
dc.publisherElsevier BVen
dc.relation.urlhttp://arxiv.org/abs/arXiv:1311.3407v1en
dc.titleHalf-metallicity and giant magneto-optical Kerr effect in N-doped NaTaO3en
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentSolar and Photovoltaic Engineering Research Center (SPERC)en
dc.contributor.departmentMaterials Science and Engineering Programen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalChemical Physics Lettersen
dc.identifier.arxividarXiv:1311.3407en
kaust.authorSaeed, Yasiren
kaust.authorSingh, Nirpendraen
kaust.authorSchwingenschlögl, Udoen
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