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首页> 外文学位 >The electronic structure and spin polarization of bis(4-cyano-2,2,6,6-tetramethyl-3,5-heptanedionato)copper(II).
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The electronic structure and spin polarization of bis(4-cyano-2,2,6,6-tetramethyl-3,5-heptanedionato)copper(II).

机译：双（4-氰基-2,2,6,6-四甲基-3,5-庚二酮基）铜（II）的电子结构和自旋极化。

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摘要

The electronic structure of bis(4-cyano-2,2,6,6-tetramethyl-3,5-heptanedionato)copper(II) (or Cu(CNdpm)2), (C24H36N2O 4Cu, Cu(II)) is spin polarized. Spin polarization was observed in molecular thin films of the metal organic molecule bis(4-cyano-2,2,6,6-tetramethyl-3,5-heptanedionato)copper(II) (or Cu(CNdpm)2), (C24H36N2O 4Cu, Cu(II)) deposited on Co(111) using spin polarized photoemission. The spin polarization of Cu(CNdpm)2 deposited on Co(111) is coverage dependent, but deviates from the mean field (Ginzburg-Landau) model for a simple paramagnet on a ferromagnet. The results are, nonetheless, seen to be consistent with magnetometry and the predicted density of states. Weak ferromagnetic interaction is implicated between molecules by a positive Weiss constant. A nonzero coercivity is observed when an external magnetic field is applied. For Cu(CNdpm)2 deposited on Co(111), the induced spin polarization asymmetry was found to favor select molecular orbitals consistent with calculations. The results indicate a strong influence of the ferromagnetic Co(111) substrate and some extramolecular coupling.;The metal-organic molecule bis(4-cyano-2,2,6,6-tetramethyl-3,5-heptanedionato)copper(II) (Cu(CNdpm)2), (C24H36N2O 4Cu, Cu(II)), is a copper spin ½ system with a magnetic moment of 1.05+/-0.04 muB per molecule, slightly smaller than the 1.215+0.02 muB per molecule for the larger size copper spin ½ system C36H 48N4O4Cu * C4H8O (bis(4-cyano-2,2,6,6-tetramethyl-3,5-heptanedionato)copper(II) 4,4'-bipyridylethene * THF). There is generally good agreement between photoemission from vapor deposited thin films of the C24H36N 2O4Cu on Cu(111) and Co(111) and model calculations. Although this molecule is expected to have a gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital, the molecule remains surprisingly well screened in the photoemission final state.;Using light polarization dependent angle-resolved photoemission, the metal-organic molecule bis(4-cyano-2,2,6,6-tetramethyl-3,5-heptanedionato)copper(II) (or Cu(CNdpm)2), (C24H36N2O 4Cu, Cu(II)) is observed to adopt a preferential orientation that depends on film thickness and substrate when deposited on Co(111) and Cu(111). In addition, the final state binding energies change with film thickness, suggesting that the substrates affect the screening or charging in the photoemission final state.
机译：双（4-氰基-2,2,6,6-四甲基-3,5-庚二酮基）铜（II）（或Cu（CNdpm）2），（C24H36N2O 4Cu，Cu（II））的电子结构是自旋的偏振。在金属有机分子双（4-氰基-2,2,6,6-四甲基-3,5-庚二酮基）铜（II）（或Cu（CNdpm）2）（C24H36N2O）的分子薄膜中观察到自旋极化4Cu，Cu（II））使用自旋偏振光发射沉积在Co（111）上。沉积在Co（111）上的Cu（CNdpm）2的自旋极化与覆盖率有关，但与铁磁体上的简单顺磁体的平均场（Ginzburg-Landau）模型不同。尽管如此，结果仍被认为与磁力计和预测的态密度一致。弱的铁磁相互作用与正的Weiss常数有关。当施加外部磁场时观察到非零矫顽力。对于沉积在Co（111）上的Cu（CNdpm）2，发现自旋极化不对称性有利于选择与计算一致的分子轨道。结果表明强磁性的Co（111）衬底和一些分子外耦合的影响。;金属有机分子双（4-氰基-2,2,6,6-四甲基-3,5-庚二酮基）铜（II） ）（Cu（CNdpm）2），（C24H36N2O 4Cu，Cu（II））是一种铜自旋½系统，每个分子的磁矩为1.05 +/- 0.04μB，略小于每个分子的1.215 + 0.02μB较大尺寸的铜自旋½体系C36H 48N4O4Cu * C4H8O（双（4-氰基-2,2,6,6-四甲基-3,5-庚二酮基）铜（II）4,4'-联吡啶乙烯* THF）。在Cu（111）和Co（111）上气相沉积C24H36N 2O4Cu薄膜的光发射与模型计算之间通常存在很好的一致性。尽管预计该分子在最高占据分子轨道与最低未占据分子轨道之间会存在间隙，但该分子在光发射最终状态仍然令人惊讶地得到了很好的筛选。;使用光偏振相关的角度分辨光发射，金属有机分子bis观察到（4-氰基2,2,6,6-四甲基-3,5-庚二酮基）铜（II）（或Cu（CNdpm）2），（C24H36N2O 4Cu，Cu（II））采取优先取向这取决于在Co（111）和Cu（111）上沉积时的膜厚和基材。另外，最终状态的结合能随膜厚而变化，这表明基材在光发射最终状态下会影响屏蔽或充电。

著录项

  • 作者

    Wisbey, David Scott.;

  • 作者单位

    The University of Nebraska - Lincoln.;

  • 授予单位 The University of Nebraska - Lincoln.;
  • 学科 Chemistry Organic.;Physics Condensed Matter.;Physics General.
  • 学位 Ph.D.
  • 年度 2008
  • 页码 111 p.
  • 总页数 111
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

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