Part 1 (Introduction. Crystal Field splitting of the d-type Atomic Orbitals. Taylor's notation)
Part 2 (Energy Plane. Energy Surfaces. g-Tensor Surface)
Part 3 (Discussion)
The properties of the tree-level model are determined by the two energy parameters: (, V) or (A, B) in Taylor's model. In particular, they determine two-parametric wave functions (taking into account the normalization condition: a2 + b2 + c2 = 1). They also determine the two-parametric set of g-values (connected by the equations in row 4 of the table below).
All known solutions are essentially the same. They differ only in notations and the sign choice of g-values:
Oosterhuis & Lang - Taylor - McGarvey comparison
|1||W.T. Oosterhuis, G. Lang||C.P.S. Taylor||B.R. McGarvey|
You can experiment with Taylor's solution using the programs TaylorABC and TaylorABC2. In TaylorABC the input parameters are a, b and c. They are automatically normalized:
In TaylorABC2 the parameters (a, b, c) are entered via the spherical angles:
The output parameters are the g-values and the energy parameters.
The above approach is specific to the three-level model. A general approach starts with energy parameters. Then the wave functions are calculated. The wave functions allow the calculation of all properties, including the g-values. This approach is implemented in the program gXYXZYZ. Only the absolute values of the g-tensor are determined.
The inverse problem is to determine the system parameters from the experimental g-values. The program Taylor solves this problem. Unlike the direct problem the solution depends on several assumptions:
The method for processing massive experimental data and its implementation are discussed in the next part.
Part 5 (Experimental data processing)
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©Nikolai Shokhirev, 2001.