Ferromagnetic half-metallic characteristic in bulk Ni 0.5M 0.5O (M=Cu, Zn and Cd): A GGAU study

Handle URI:
http://hdl.handle.net/10754/562229
Title:
Ferromagnetic half-metallic characteristic in bulk Ni 0.5M 0.5O (M=Cu, Zn and Cd): A GGAU study
Authors:
Mi, Wenbo; Yang, Hua; Cheng, Yingchun; Bai, Haili
Abstract:
Ferromagnetic half metallicity with a high spin polarization of 100% was predicted in the bulk Ni 0.5Cu 0.5O using density-functional theory method. The band gap of majority spin is 3.45 eV for Ni 0.5Cu 0.5O. The density of states of minority spin at the Fermi level are mainly from Cu 3d and O 2p in the Ni 0.5Cu 0.5O. The magnetic moments are from Ni 3d states. Ni 0.5Zn 0.5O and Ni 0.5Cd 0.5O systems are ferromagnetic insulators, but the magnetic moment of Ni 2 ions is enhanced by the Zn and Cd incorporation. Therefore, Ni 0.5Cu 0.5O is the potential candidate for spintronics devices because of the predicted high spin polarization. © 2012 Elsevier Ltd. All rights reserved.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Publisher:
Elsevier
Journal:
Solid State Communications
Issue Date:
Jul-2012
DOI:
10.1016/j.ssc.2012.04.011
Type:
Article
ISSN:
00381098
Sponsors:
This work was supported by the National Natural Science Foundation of China (51171126) and the Key Project of Natural Science Foundation of Tianjin City (12JCZDJC27100).
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorMi, Wenboen
dc.contributor.authorYang, Huaen
dc.contributor.authorCheng, Yingchunen
dc.contributor.authorBai, Hailien
dc.date.accessioned2015-08-03T09:57:14Zen
dc.date.available2015-08-03T09:57:14Zen
dc.date.issued2012-07en
dc.identifier.issn00381098en
dc.identifier.doi10.1016/j.ssc.2012.04.011en
dc.identifier.urihttp://hdl.handle.net/10754/562229en
dc.description.abstractFerromagnetic half metallicity with a high spin polarization of 100% was predicted in the bulk Ni 0.5Cu 0.5O using density-functional theory method. The band gap of majority spin is 3.45 eV for Ni 0.5Cu 0.5O. The density of states of minority spin at the Fermi level are mainly from Cu 3d and O 2p in the Ni 0.5Cu 0.5O. The magnetic moments are from Ni 3d states. Ni 0.5Zn 0.5O and Ni 0.5Cd 0.5O systems are ferromagnetic insulators, but the magnetic moment of Ni 2 ions is enhanced by the Zn and Cd incorporation. Therefore, Ni 0.5Cu 0.5O is the potential candidate for spintronics devices because of the predicted high spin polarization. © 2012 Elsevier Ltd. All rights reserved.en
dc.description.sponsorshipThis work was supported by the National Natural Science Foundation of China (51171126) and the Key Project of Natural Science Foundation of Tianjin City (12JCZDJC27100).en
dc.publisherElsevieren
dc.subjectA. Half-metallicen
dc.subjectA. NiOen
dc.subjectD. Ferromagnetismen
dc.subjectE. First principle calculationsen
dc.titleFerromagnetic half-metallic characteristic in bulk Ni 0.5M 0.5O (M=Cu, Zn and Cd): A GGAU studyen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalSolid State Communicationsen
dc.contributor.institutionTianjin Key Laboratory of Low Dimensional Materials Physics and Preparing Technology, Institute of Advanced Materials Physics, Tianjin University, Tianjin 300072, Chinaen
kaust.authorCheng, Yingchunen
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