...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Physical review >Energetics and electronic structure of GaN codoped with Eu and Si
【24h】

Energetics and electronic structure of GaN codoped with Eu and Si

机译：Eu和Si共掺杂的GaN的能级和电子结构

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

First principles calculations using pseudopotentials and generalized gradient approximation (GGA) for the exchange-correlation energy show that addition of Si makes Eu doping in GaN energetically favorable. It breaks local symmetry around Eu ions and leads to shallow states below the conduction band that could facilitate intra-4f shell transitions. Silicon atoms on Ga sites act as intrinsic donors transforming Eu from a 3+ to a 2+ state. The half-filled 4f states with a 7 Mb magnetic moment on each Eu ion lie within the band gap of GaN and are narrower compared with the only-Eu doping case due to reduced hybridization with the host states. There is a tendency for clustering of Eu ions with ferromagnetic coupling and the ～5-A interatomic distance, but EuN phase formation is unfavorable. Further effects of the inclusion of onsite Coulomb interaction U within GGA+U formalism on the electronic structure are discussed.
机译：使用伪电位和广义梯度近似（GGA）进行交换相关能量的第一原理计算表明，添加Si使GaN中的Eu掺杂在能量上有利。它破坏了Eu离子周围的局部对称性，并导致导带以下的浅层态，这可能有助于4f内壳层跃迁。 Ga位点上的硅原子充当内在施主，将Eu从3+转变为2+。在每个Eu离子上具有7 Mb磁矩的半填充4f态位于GaN的带隙内，并且由于与主体态的杂化降低，因此与仅Eu掺杂的情形相比更窄。 Eu离子具有铁磁耦合和〜5-A原子间距离的趋势，但EuN相的形成是不利的。讨论了在GGA + U形式主义中包含现场库仑相互作用U对电子结构的进一步影响。

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