The Effective Crystal Field Potential

Abstract

Chapter headings: Introduction. Parameterization of Crystal Field Hamiltonian. The Effective Crystal Field Potential. Chronological Development of Crystal Field Models. Ionic Complex or Quasi-Molecular Cluster. Generalized Product Function. Point Charge Model (PCM). One-Configurational Model with Neglecting the Non-Orthogonality. The Charge Penetration and Exchange Effects.The Exclusion Model. One-configurational Approach with Regards to Non-Orthogonality of the Wave Functions. Covalency Contribution, i.e. The Charge Transfer Effect. Shielding and Antishielding Effect: Contributions from Closed Electron Shells. Electrostatic Crystal Field Contributions with Consistent Multipolar Effects. Polarization. Crystal Field effect in the Stevens Perturbation Approach. Specific Mechanisms of Metallic States Contributing to the Crystal Field Potential. Virtual Bound State Contribution to the Crystal Field Potential. Hybridization or Covalent Mixing Between Localized States and Conduction Band States in Metallic Crystals. Density Functional Theory Approach. Analysis of the Experimental Data. Interpretation of Crystal Field Parameters with Additive Models. Lattice Dynamics Contribution. Extension of the Crystal Field Potential Beyond the One-Electron Model. Appendices. Author index. Keyword index.