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Cu掺杂ZnO磁性能的实验与理论研究*

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王锋, 林闻, 王丽兹, 葛永明, 张小婷, 林海容, 黄伟伟, 黄俊钦, W.Cao. 2014: Cu掺杂ZnO磁性能的实验与理论研究*, 物理学报, null(15): 157502. doi: 10.7498/aps.63.157502
引用本文: 王锋, 林闻, 王丽兹, 葛永明, 张小婷, 林海容, 黄伟伟, 黄俊钦, W.Cao. 2014: Cu掺杂ZnO磁性能的实验与理论研究*, 物理学报, null(15): 157502. doi: 10.7498/aps.63.157502
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Wang Feng, Lin Wen, Wang Li-Zi, Ge Yong-Ming, Zhang Xiao-Ting, Lin Hai-Rong, Huang Wei-Wei, Huang Jun-Qin, W Cao. 2014: Magnetic prop erties of the Cu-dop ed ZnO：exp eriments and theory, Acta Physica Sinica, null(15): 157502. doi: 10.7498/aps.63.157502
Citation: Wang Feng, Lin Wen, Wang Li-Zi, Ge Yong-Ming, Zhang Xiao-Ting, Lin Hai-Rong, Huang Wei-Wei, Huang Jun-Qin, W Cao. 2014: Magnetic prop erties of the Cu-dop ed ZnO：exp eriments and theory, Acta Physica Sinica, null(15): 157502. doi: 10.7498/aps.63.157502
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Cu掺杂ZnO磁性能的实验与理论研究*

  • 泉州师范学院物理与信息工程学院,泉州,362000

  • Department of Physics，University of Oulu，FIN-90014，Finland

Magnetic prop erties of the Cu-dop ed ZnO：exp eriments and theory

  • 摘要: 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+-Vo-Cu2+， 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.
    Abstract: CuxZn1-xO were synthesized via the solid-state reaction route. Ferromagnetism was detected when the Cu per-centage 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+-Vo-Cu2+, 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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  • 刊出日期:  2014-08-15

Cu掺杂ZnO磁性能的实验与理论研究*

  • 泉州师范学院物理与信息工程学院,泉州,362000
  • Department of Physics，University of Oulu，FIN-90014，Finland

摘要: 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+-Vo-Cu2+， 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.

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