Effective Crystal Field Potential

Name: Effective Crystal Field Potential
Price: 104.62 USD
Availability: InStock
ISBN: 9780080436081

ISBN-10: 0080436080

ISBN-13: 9780080436081

Edition: 2000

Authors: J. Mulak, Z. Gajek

List price: $139.00

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Description:

As it results from the very nature of things, the spherical symmetry of the surrounding of a site in a crystal lattice or an atom in a molecule can never occur. Therefore, the eigenfunctions and eigenvalues of any bound ion or atom have to differ from those of spherically symmetric respective free ions. In this way, the most simplified concept of the crystal field effect or ligand field effect in the case of individual molecules can be introduced. The conventional notion of the crystal field potential is narrowed to its non-spherical part only through ignoring the dominating spherical part which produces only a uniform energy shift of gravity centres of the free ion terms. It is well…

Book details

List price: $139.00
Copyright year: 2000
Publisher: Elsevier Science & Technology
Publication date: 6/22/2000
Binding: Hardcover
Pages: 316
Size: 6.13" wide x 9.17" long x 0.75" tall
Weight: 1.408
Language: English



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