Magnetic properties of the Cu-doped ZnO：experiments and theory | Zendy

Feng Wang | Zendy; Lin Wen | Zendy; Wang Li-Zi | Zendy; Ge Yong-Ming | Zendy; Xiaoting Zhang | Zendy; Lin Hai-Rong | Zendy; Huang Wei-Wei | Zendy; Junqin Huang | Zendy; Wei Cao | Zendy

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Magnetic properties of the Cu-doped ZnO：experiments and theory

Author(s) -

Feng Wang,

Lin Wen,

Wang Li-Zi,

Ge Yong-Ming,

Xiaoting Zhang,

Lin Hai-Rong,

Huang Wei-Wei,

Junqin Huang,

Wei Cao

Publication year - 2014

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.63.157502

Subject(s) - ferromagnetism , polaron , materials science , magnetic semiconductor , doping , ion , copper , condensed matter physics , semiconductor , density functional theory , exchange interaction , charge carrier , chemistry , physics , computational chemistry , metallurgy , optoelectronics , organic chemistry , quantum mechanics , electron

Cux Zn1-xO were synthesized via the solid-state reaction route. Ferromagnetism was detected when the Cu percentage was bigger than 3%. The compounds were found to be the N-type semiconductors with a carrier concentration of 1015 cm-3. The DFT+U method was employed to calculate the magnetic exchange coupling of the Cu2+O2-Cu2+, Cu2+VoCu2+, Cu2+Vo+Cu2+, Cu2+Vo++Cu2+ in the CuZnO system, where Vo denoted the vacancy of oxygen. Different bound charge transfer schemes between the Vo and Cu2+ ions were revealed. The origin of the ferromagnetism was determined within the framework of the Cu2+Vo++Cu2+ bound magnetic polarons.

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