Nota de FísicaPublicado
Lattice Distortion Effects on the Magnetism of Mn Impurities in Al and Cu
D. Guenzburger; D.E. Ellis
1993
Dados da publicação
- Autores
- D. Guenzburger; D.E. Ellis
- Tipo
- Nota de Física
- Status
- Publicado
- Data de publicação
- 1993
- Descrição
- Self-consistent calculations with the Discrete Variational Method in the framework of local spin-density theory were performed for 43-atoms embedded clusters representing a Mn impurity in Al and Cu hosts. Effects of local lattice relaxation were explored by varying the distance between Mn and the nearest-neighbor host atoms. It was found that the magnetic moment of Mn in Al is much more sensitive to local lattice distortion than Mn in Cu. At the equilibrium Mn-nearest-neighbors distance, as determined by XAFS measurements, a reduction of <math>34%</math> of <math>\mu </math> in Al is obtained, relative to the host lattice distance. Mechanisms related to the effect of the environment on <math>\mu </math> are discussed. The Mn 3s exchange splitting observed in XPS spectra is also investigated, and it is found that it may not be taken as evidence of a 3d moment in the ground state.
- Ano
- 1993
- Número
- CBPF-NF-053/93
- Vínculo com tese
- Não
- Vínculo com bolsa
- Não