Research output: Contribution to journal › Article › peer-review
The results of the electronic structure calculations made in the large-unit-cell complete neglect of differential overlap approach are given for the crystals MF2 (M=Ca, Sr, Ba, Cd, Pb or Sn) and PbSnF4. The same approach is used for the impurity centre MF2:Cd (M=Ca, Sr, Ba and Pb) and the lattice distortion introduced by the symmetrical shift of the nearest cation neighbour. It is shown that the influence on the band structure of this lattice distortion is not large.
| Original language | English |
|---|---|
| Article number | 008 |
| Pages (from-to) | 6603-6609 |
| Number of pages | 7 |
| Journal | Journal of Physics: Condensed Matter |
| Volume | 1 |
| Issue number | 37 |
| DOIs | |
| State | Published - 1989 |
ID: 84361289