Magnetic Functions Beyond the Spin-Hamiltonian
Contributor(s): Mingos, D. M. P [editor.] | SpringerLink (Online service).
Material type:
BookSeries: Structure and Bonding: 117Publisher: Berlin, Heidelberg : Springer Berlin Heidelberg, 2006.Description: X, 278 p. online resource.Content type: text Media type: computer Carrier type: online resourceISBN: 9783540325017.Subject(s): Chemistry | Inorganic chemistry | Chemistry, Physical and theoretical | Magnetism | Magnetic materials | Chemistry | Inorganic Chemistry | Theoretical and Computational Chemistry | Magnetism, Magnetic MaterialsDDC classification: 546 Online resources: Click here to access online | Item type | Current location | Call number | Status | Date due | Barcode | Item holds |
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E books
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PK Kelkar Library, IIT Kanpur | Available | EBK8700 |
R. Boca: Magnetic Parameters and Magnetic Functions in Mononuclear Complexes Beyond the Spin-Hamiltonian Formalism: Introduction -- Energy Levels of Multi-Term Systems -- Modeling the Magnetic Parameters -- Calculations of Energy Levels and Magnetic Parameters -- Empirical Magnetic Parameters -- Conclusions -- References -- Appendix A: Spectroscopic Constants, Coefficients and Matrix Elements -- Appendix B: Elements of the Irreducible Tensor Approach -- Appendix C: Classification of Crystal-Field Terms and Multiplets -- Appendix D: Calculated Energy Levels and Magnetic Parameters.
Using the spin-Hamiltonian formalism the magnetic parameters are introduced through the components of the Lambda-tensor involving only the matrix elements of the angular momentum operator. The energy levels for a variety of spins are generated and the modeling of the magnetization, the magnetic susceptibility and the heat capacity is done. Theoretical formulae necessary in performing the energy level calculations for a multi-term system are prepared with the help of the irreducible tensor operator approach. The goal of the programming lies in the fact that the entire relevant matrix elements (electron repulsion, crystal field, spin-orbit interaction, orbital-Zeeman, and spin-Zeeman operators) are evaluated in the basis set of free-atom terms. The modeling of the zero-field splitting is done at three levels of sophistication. The spin-Hamiltonian formalism offers simple formulae for the magnetic parameters by evaluating the matrix elements of the angular momentum operator in the basis set of the crystal-field terms. The magnetic functions for dn complexes are modeled for a wide range of the crystal-field strengths.
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