Magnetism of Cr-doped ZnO with intrinsic defects - Details

author：

Weng, Z.Z. (Weng, Z.Z..) ^[1] | Huang, Z.G. (Huang, Z.G..) ^[2] | Lin, W.X. (Lin, W.X..) ^[3]

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Abstract：

The　electronic　structure　and　formation　energies　of　defect　in　Cr-doped　ZnO　are　investigated　by　the　first-principles　calculations.　The　dopant　Cr　atom　and　native　defects　(O　vacancy,　Zn　vacancy,　and　Zn　interstitial)　at　different　charge　states　are　considered.　The　calculated　results　indicate　that　the　substitutive　Cr　in　the　oxidation　state　of　+3　and　the　neutral　Zn　vacancy　in　the　ZnO:Cr　sample　is　the　most　favorable　defect　complex　to　maintain　a　high　stability　of　ferromagnetic　order.　Therefore,　a　p-type　ZnO:Cr　prepared　under　O-rich　condition　could　have　a　higher　Curie　temperature.　The　p-d　hybridization　and　the　itinerant　d-characteristic　n-type　carriers　are　suggested　to　mediate　the　long　range　ferromagnetic　exchange　interaction　between　Cr　atoms.　©　2012　American　Institute　of　Physics.

Keyword：

Calculations Chromium Chromium compounds Electronic structure Ferromagnetic materials Ferromagnetism II-VI semiconductors Zinc Zinc oxide

Community：

[ 1 ] [Weng, Z.Z.]College of Physics and Information Engineering, Fuzhou University, Fuzhou 350108, China
[ 2 ] [Weng, Z.Z.]Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China
[ 3 ] [Huang, Z.G.]Physics Department, Fujian Normal University, Fuzhou 350007, China
[ 4 ] [Lin, W.X.]Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China

Reprint 's Address：

[weng, z.z.]fujian institute of research on the structure of matter, chinese academy of sciences, fuzhou 350002, china;;[weng, z.z.]college of physics and information engineering, fuzhou university, fuzhou 350108, china

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Source ：

ISSN： 0021-8979

Year： 2012

Issue： 11

Volume： 111

Language： English

2 . 2 1

JCR@2012

2 . 7 0 0

JCR@2023

JCR Journal Grade：1

CAS Journal Grade：3

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SCOPUS Cited Count：

ESI Highly Cited Papers on the List： 0 Unfold All

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30 Days PV： 3

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