Abstract
The electron transmission properties of a molecular wire, containing a single impurity, are investigated in the context of the tight-binding approximation. The inclusion of overlap gives rise to nonorthogonal orbitals, whose treatment requires a tensorial formalism to obtain the Green function arising in the Lippmann-Schwinger equation approach to the transmission probability $T(E).$ The presence of overlap has profound effects on the $T(E)$ curves. In particular, two antiresonances appear, which are governed by different conditions. The $T(E)$ behavior, throughout the parametric space in question, is described in detail. It is clear that a viable theory of electron transmission should take account of overlap. The tensorial procedure, adopted here, provides a direct means of doing so.
Published Version
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