Nota de FísicaPublicado
Electronic Structure and Electric Field Gradients of Crystalline Sn(II) and Sn(IV) Compounds
Joice Terra; D. Guenzburger
1991
Dados da publicação
- Autores
- Joice Terra; D. Guenzburger
- Tipo
- Nota de Física
- Status
- Publicado
- Data de publicação
- 1991
- Descrição
- The electronic structures of clusters representing crystalline compounds of Sn(II) and Sn(IV) were investigated, employing the first-principles Discrete Variational method and Local Density theory. Densities of states and related parameters were obtained and compared with experimental measurements and with results from band structure calculations. Effects of cluster size and of cluster truncated bonds are discussed. Electric field gradients at the Sn nucleus were calculated; results are analysed in terms of charge distribution and chemical bonding in the crystals.
- Ano
- 1991
- Número
- CBPF-NF-019/91
- Vínculo com tese
- Não
- Vínculo com bolsa
- Não