Open AccessMagnetic 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 -
wuli xuebao
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.