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中国物理学会期刊

Cu掺杂ZnO磁性能的实验与理论研究

CSTR: 32037.14.aps.63.157502

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

CSTR: 32037.14.aps.63.157502
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  • 采用固相反应法制备了Cu掺杂ZnO样品. 在室温下Cu含量3%的样品在室温下表现为铁磁性. 样品为n型半导体,载流子的浓度为1015cm-3. 利用密度泛函理论(DFT+U)计算了CuZnO体系的Cu2+O2-Cu2+,Cu2+VoCu2+,Cu2+Vo+Cu2+,Cu2+Vo+ +Cu2+磁交换耦合作用,给出了不同束缚电荷的氧空穴Vo与Cu2+离子之间的超交换机理,提出了CuZnO 体系中铁磁性机理为Cu2+Vo++Cu2+束缚磁极化子模型.

     

    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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