...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Physical review >Kondo effect and spin quenching in high-spin molecules on metal substrates
【24h】

Kondo effect and spin quenching in high-spin molecules on metal substrates

机译：金属衬底上高自旋分子的近藤效应和自旋猝灭

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

Using a state-of-the art combination of density functional theory and impurity solver techniques, we present a complete and parameter-free picture of the Kondo effect in the high-spin (5 = 3/2) coordination complex known as manganese phthalocyanine adsorbed on the Pb(111) surface. We calculate the correlated electronic structure and corresponding tunnel spectrum and find an asymmetric Kondo resonance, as recently observed in experiments. Contrary to previous claims, the Kondo resonance stems from only one of three possible Kondo channels with origin in the Mn 3d orbitals, its peculiar asymmetric shape arising from the modulation of the hybridization due to a strong coupling to the organic ligand. The spectral signature of the second Kondo channel is strongly suppressed as the screening occurs via the formation of a many-body singlet with the organic part of the molecule. Finally, a spin-1/2 in the 3d shell remains completely unscreened due to the lack of hybridization of the corresponding orbital with the substrate, hence leading to a spin-3/2 underscreened Kondo effect.
机译：使用最新的密度泛函理论和杂质求解器技术的结合，我们呈现了高旋转（5 = 3/2）配位络合物（称为锰酞菁吸附）中近藤效应的完整且无参数的图像在Pb（111）表面上。正如最近在实验中观察到的，我们计算了相关的电子结构和相应的隧道光谱，并发现了不对称的近藤共振。与先前的权利要求相反，近藤共振仅源自三个可能的近藤通道之一，其起源于Mn 3d轨道，其独特的不对称形状是由于与有机配体的强耦合而对杂交的调节而产生的。由于筛选是通过与分子有机部分形成多体单线态进行的，因此强烈抑制了第二近藤通道的光谱特征。最后，由于缺少相应的轨道与底物的杂交，3d壳中的spin / 1/2仍保持完全未筛选状态，从而导致spin-3 / 2筛选不足的近藤效应。

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