...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Physica status solidi, B. Basic research >Effect of intrinsic vacancies on the ferromagnetism of V-doped ZnO based on first-principles calculation
【24h】

Effect of intrinsic vacancies on the ferromagnetism of V-doped ZnO based on first-principles calculation

机译：基于第一性原理计算的本征空位对V掺杂ZnO铁磁性的影响

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

The effect of O vacancy (V_O) and Zn vacancy (V_(Zn)) on the magnetic properties of V-doped ZnO has been studied by density functional theory calculations. It is found that the strong hybridization between V 3d and O 2p is responsible for the ferromagnetic coupling in this V-doped ZnO system. The presence of V_(Zn) increase the covalency betweenV3d states and O 2p states and reduce the magnetic moment of V ions. In contrast, the presence of V_O broadens the occupied V 3d majority spin states and increases the atomic populations of V 3d orbital. The impurity states of O vacancy and V ions in ZnO have strong interaction and the doped electrons produced byVO are mainly concentrated on the V 3d states, which enhance ferromagnetic interactions in the (V, V_O) co-doped ZnO.
机译：通过密度泛函理论计算研究了O空位（V_O）和Zn空位（V_（Zn））对V掺杂ZnO磁性能的影响。发现在V掺杂的ZnO系统中，V 3d与O 2p之间的强杂化是铁磁耦合的原因。 V_（Zn）的存在增加了V3d态和O 2p态之间的共价性，并降低了V离子的磁矩。相反，V_O的存在扩大了被占据的V 3d多数自旋态并增加了V 3d轨道的原子总数。 ZnO中的O空位和V离子的杂质态具有很强的相互作用，VO产生的掺杂电子主要集中在V 3d态，从而增强了（V，V_O）共掺杂的ZnO中的铁磁相互作用。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号