Magnetic Interactions in Molecules and Solids
Magnetic Interactions in Molecules and Solids
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分子和固体中的磁相互作用
DOI：
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发表时间：
2015
期刊：
影响因子：
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通讯作者：
R. Broer
中科院分区：
文献类型：
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作者：
C. de Graaf;R. Broer
1基本概念1.1斯莱特行列式和斯莱特-康登规则1.2许多电子自旋函数的产生。1.3微扰理论1.4有效哈密顿理论2一个磁性中心。2.1原子磁矩2.2多电子原子的本征态2.3进一步消除N电子态的简并性。3两个（或更多）磁性中心。3.1双电子/双轨道问题的定域与非定域描述。3.2各向同性相互作用的模型自旋哈密顿量3.3从微观到宏观：自下而上的方法。3.4复杂的相互作用。第四章从轨道模型到精确预测4.1唯价定性模型4.2磁结构相关性4.3精确的计算模型。第五章量化的理解5.1磁力联轴器的分解5.2映射回仅配价模型。5.3用单一决定因素方法进行分析。5.4复杂相互作用的分析。- 6磁性与传导6.1电子跳跃6.2双重交换。6.3固态磁相互作用的量子化学方法。6.4古迪诺-金盛规则6.5铁磁体的自旋波。
1 Basic Concepts.- 1.1 Slater Determinants and Slater-Condon Rules.- 1.2 Generation of Many Electron Spin Functions.- 1.3 Perturbation Theory.- 1.4 Effective Hamiltonian Theory.- 2 One Magnetic Center.- 2.1 Atomic Magnetic Moments.- 2.2 The Eigenstates of Many-Electron Atoms.- 2.3 Further Removal of the Degeneracy of the N-electron States.- 3 Two (or More) Magnetic Centers.- 3.1 Localized Versus Delocalized Description of the Two-Electron/Two-Orbital Problem.- 3.2 Model Spin Hamiltonians for Isotropic Interactions.- 3.3 From Micro to Macro: The Bottom-Up Approach.- 3.4 Complex Interactions.- 4 From Orbital Models to Accurate Predictions.- 4.1 Qualitative Valence-Only Models.- 4.2 Magnetostructural Correlations.- 4.3 Accurate Computational Models.- 5 Towards a Quantitative Understanding.- 5.1 Decomposition of the Magnetic Coupling.- 5.2 Mapping Back on a Valence-Only Model.- 5.3 Analysis with Single Determinant Methods.- 5.4 Analysis of Complex Interactions.- 6 Magnetism and Conduction.- 6.1 Electron Hopping.- 6.2 Double Exchange.- 6.3 A Quantum Chemical Approach to Magnetic Interactions in the Solid State.- 6.4 Goodenough-Kanamori Rules.- 6.5 Spin Waves for Ferromagnets.