Abstract
The local environment of large Pb and Sn substitutional impurities in GeTe was found to be strongly distorted compared to that in binary PbTe and SnTe compounds. For both impurities the neighboring Te atoms were found at two different distances, the shortest of them being by 0.16-0.17 A less than that in corresponding binary compound. The off-centering of Pb and Sn impurities is explained by participation of their 6s 2 and 5s 2 unshared electron pairs in chemical bonding in the condition of strong local stress created by these impurities in the lattice.
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