DOI

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.

Язык оригиналаанглийский
Номер статьи008
Страницы (с-по)6603-6609
Число страниц7
ЖурналJournal of Physics: Condensed Matter
Том1
Номер выпуска37
DOI
СостояниеОпубликовано - 1989

    Предметные области Scopus

  • Материаловедение (все)
  • Физика конденсатов

ID: 84361289