Experimental and theoretical studies on the magnetic property of carbon-doped ZnO

X. J. Ye; C. S. Liu; W. Zhong; H. A. Song; C. T. Au; Y. W. Du

doi:10.1016/j.physleta.2009.11.021

Experimental and theoretical studies on the magnetic property of carbon-doped ZnO

X. J. Ye, C. S. Liu, W. Zhong^*, H. A. Song, C. T. Au, Y. W. Du

^*Corresponding author for this work

Department of Chemistry

Research output: Contribution to journal › Journal article › peer-review

29 Citations (Scopus)

Abstract

Intrinsic room-temperature ferromagnetism was detected over n-type carbon-doped ZnO prepared through solid-state reaction. Our results of first-principle calculations based on density functional theory revealed that the CZn₄O₁₂ unit is the origin of magnetic moment in the carbon-doped ZnO system. The carbon component has a significant contribution to the net magnetic moment, and any oxygen vacancy present in CZn₄O₁₂ has a negative effect on the magnetic properties of the system. Moreover, both antiferromagnetic and ferromagnetic interactions are predicted among carbon atoms located at different C{single bond}C distances. The result suggests that the defect density influenced by the distribution of carbon has a significant effect on the magnetic properties of the carbon-doped ZnO system. Crown

Original language	English
Pages (from-to)	496-500
Number of pages	5
Journal	Physics Letters A
Volume	374
Issue number	3
DOIs	https://doi.org/10.1016/j.physleta.2009.11.021
Publication status	Published - 4 Jan 2010

Scopus Subject Areas

General Physics and Astronomy

User-Defined Keywords

Carbon-doped ZnO
Ferromagnetism
First-principle calculation

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10.1016/j.physleta.2009.11.021

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@article{039781e1682348c882465fca91495415,

title = "Experimental and theoretical studies on the magnetic property of carbon-doped ZnO",

abstract = "Intrinsic room-temperature ferromagnetism was detected over n-type carbon-doped ZnO prepared through solid-state reaction. Our results of first-principle calculations based on density functional theory revealed that the CZn4O12 unit is the origin of magnetic moment in the carbon-doped ZnO system. The carbon component has a significant contribution to the net magnetic moment, and any oxygen vacancy present in CZn4O12 has a negative effect on the magnetic properties of the system. Moreover, both antiferromagnetic and ferromagnetic interactions are predicted among carbon atoms located at different C{single bond}C distances. The result suggests that the defect density influenced by the distribution of carbon has a significant effect on the magnetic properties of the carbon-doped ZnO system. Crown",

keywords = "Carbon-doped ZnO, Ferromagnetism, First-principle calculation",

author = "Ye, {X. J.} and Liu, {C. S.} and W. Zhong and Song, {H. A.} and Au, {C. T.} and Du, {Y. W.}",

note = "Funding Information: This work was supported by the National Natural Science Foundation of China (Grant No. 10674059 ) and the National Key Project for Basic Research (Grant Nos. 2010CB923402 and 2005CB623605 ), People's Republic of China, and the Scientific Research Foundation of Graduate School of Nanjing University .",

year = "2010",

month = jan,

day = "4",

doi = "10.1016/j.physleta.2009.11.021",

language = "English",

volume = "374",

pages = "496--500",

journal = "Physics Letters A",

issn = "0375-9601",

publisher = "Elsevier",

number = "3",

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TY - JOUR

T1 - Experimental and theoretical studies on the magnetic property of carbon-doped ZnO

AU - Ye, X. J.

AU - Liu, C. S.

AU - Zhong, W.

AU - Song, H. A.

AU - Au, C. T.

AU - Du, Y. W.

N1 - Funding Information: This work was supported by the National Natural Science Foundation of China (Grant No. 10674059 ) and the National Key Project for Basic Research (Grant Nos. 2010CB923402 and 2005CB623605 ), People's Republic of China, and the Scientific Research Foundation of Graduate School of Nanjing University .

PY - 2010/1/4

Y1 - 2010/1/4

N2 - Intrinsic room-temperature ferromagnetism was detected over n-type carbon-doped ZnO prepared through solid-state reaction. Our results of first-principle calculations based on density functional theory revealed that the CZn4O12 unit is the origin of magnetic moment in the carbon-doped ZnO system. The carbon component has a significant contribution to the net magnetic moment, and any oxygen vacancy present in CZn4O12 has a negative effect on the magnetic properties of the system. Moreover, both antiferromagnetic and ferromagnetic interactions are predicted among carbon atoms located at different C{single bond}C distances. The result suggests that the defect density influenced by the distribution of carbon has a significant effect on the magnetic properties of the carbon-doped ZnO system. Crown

AB - Intrinsic room-temperature ferromagnetism was detected over n-type carbon-doped ZnO prepared through solid-state reaction. Our results of first-principle calculations based on density functional theory revealed that the CZn4O12 unit is the origin of magnetic moment in the carbon-doped ZnO system. The carbon component has a significant contribution to the net magnetic moment, and any oxygen vacancy present in CZn4O12 has a negative effect on the magnetic properties of the system. Moreover, both antiferromagnetic and ferromagnetic interactions are predicted among carbon atoms located at different C{single bond}C distances. The result suggests that the defect density influenced by the distribution of carbon has a significant effect on the magnetic properties of the carbon-doped ZnO system. Crown

KW - Carbon-doped ZnO

KW - Ferromagnetism

KW - First-principle calculation

UR - http://www.scopus.com/inward/record.url?scp=72049090918&partnerID=8YFLogxK

U2 - 10.1016/j.physleta.2009.11.021

DO - 10.1016/j.physleta.2009.11.021

M3 - Journal article

AN - SCOPUS:72049090918

SN - 0375-9601

VL - 374

SP - 496

EP - 500

JO - Physics Letters A

JF - Physics Letters A

IS - 3

ER -

Experimental and theoretical studies on the magnetic property of carbon-doped ZnO

Abstract

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