Abstract
The electronic structure of rutile-type crystals Sn 1− x M x O 2, M=As, Sb, Bi, V, Nb, Ta, 0⩽ x⩽0.25 was studied using the linear muffin–tin orbital method within the tight-binding approximation. It was shown that additional bands consisting of the valence ns states for Sn 1− x As x O 2, Sn 1− x Sb x O 2, Sn 1− x Bi x O 2 and ( n−1)d states for Sn 1− x V x O 2, Sn 1− x Nb x O 2, Sn 1− x Ta x O 2 appear in the electronic spectrum and define the type of the conductivity. The values of cohesive energies and chemical bonding of Sn 0.75M 0.25O 2 were calculated. On the basis of the calculation results, the relative stability and type of conductivity of the compound are discussed.
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