Physics NotePublished
Theoretical Study of Mössbauer Hyperfine Parameters of Fe Bound to Ammonia
Joice Terra; D. Guenzburger
1995
Publication details
- Authors
- Joice Terra; D. Guenzburger
- Type
- Physics Note
- Status
- Published
- Publication date
- 1995
- Description
- The first-principles Discrete Variational method was employed to study the species formed by the interaction of an Fe atom and ammonia. Total energy calculations were performed for several configurations. The hyperfine parameters isomer shift, quadrupole splitting and magnetic hyperfine field were calculated for the ground state found <math>({}^5E)\!\,</math> , and compared to reported experimental values obtained by Mössbauer spectroscopy in frozen ammonia.
- Year
- 1995
- Number
- CBPF-NF-005/95
- Linked to a thesis
- No
- Linked to a grant
- No