COMPUTATIONAL TECHNIQUES IN SINGLE CRYSTAL MOSSBAUER SPECTROSCOPY.
BOSTON UNIV MASS DEPT OF PHYSICS
Pagination or Media Count:
The report summarizes some computational techniques which can be used to extract the effective field parameters from a given single crystal Mossbauer spectrum. The effective field parameters in this case are the effective electric field gradient and magnetic field at the locations of Fe57 nuclei. In order to accomplish this, numerical calculations must be made to find the eigenvalues and eigenvectors of the nuclear interaction Hamiltonian. There are two possible convenient choices for the quantization axis. They are the major axis of the electric field gradient tensor in its principal axis system, or the magnetic field direction. Procedures for both choices are included. In addition to the values of the effective fields, it is also possible to determine the orientation of the principal axis system of the electric field gradient tensor with respect to the crystalline axes. This provides information about the electronic structure of the iron ion in the solid. The results can be used for both single and polycrystalline samples. Furthermore, the procedures include the possibility of an external magnetic field being applied to the crystal under study. Author
- Atomic and Molecular Physics and Spectroscopy