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

Wenbo Mi; Hua Yang; Yingchun Cheng; Haili Bai

doi:10.1016/j.ssc.2012.04.011

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

Wenbo Mi, Hua Yang, Yingchun Cheng, Haili Bai

Physical Sciences and Engineering

Research output: Contribution to journal › Article › peer-review

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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.

Original language	English (US)
Pages (from-to)	1108-1111
Number of pages	4
Journal	Solid State Communications
Volume	152
Issue number	13
DOIs	https://doi.org/10.1016/j.ssc.2012.04.011
State	Published - Jul 2012

ASJC Scopus subject areas

Materials Chemistry
General Chemistry
Condensed Matter Physics

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@article{a583b86ad23e49bfb92e3cbccc3b45ff,

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

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. {\textcopyright} 2012 Elsevier Ltd. All rights reserved.",

author = "Wenbo Mi and Hua Yang and Yingchun Cheng and Haili Bai",

note = "KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: 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).",

year = "2012",

month = jul,

doi = "10.1016/j.ssc.2012.04.011",

language = "English (US)",

volume = "152",

pages = "1108--1111",

journal = "Solid State Communications",

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publisher = "Elsevier Ltd",

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T1 - Ferromagnetic half-metallic characteristic in bulk Ni 0.5M 0.5O (M=Cu, Zn and Cd): A GGAU study

AU - Mi, Wenbo

AU - Yang, Hua

AU - Cheng, Yingchun

AU - Bai, Haili

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: 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).

PY - 2012/7

Y1 - 2012/7

N2 - 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.

AB - 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.

UR - http://hdl.handle.net/10754/562229

UR - https://linkinghub.elsevier.com/retrieve/pii/S0038109812002074

UR - http://www.scopus.com/inward/record.url?scp=84861344264&partnerID=8YFLogxK

U2 - 10.1016/j.ssc.2012.04.011

DO - 10.1016/j.ssc.2012.04.011

M3 - Article

SN - 0038-1098

VL - 152

SP - 1108

EP - 1111

JO - Solid State Communications

JF - Solid State Communications

IS - 13

ER -

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

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