Magnetic functions beyond the spin-hamiltonian

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 aregenerated 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 helpof the irreducible tensor operator approach. The goal of the programming liesin 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-Hamiltonianformalism 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.

• ISBN: 978-3-642-06543-9
• Editorial: Springer
• Encuadernacion: Rústica
• Páginas: 276
• Fecha Publicación: 01/11/2010
• Nº Volúmenes: 1
• Idioma: Inglés