Local electron density models for Tl to Pb conversion in lorandite

Abstract

The nuclear conversion of 205Tl to 205Pb by neutrino capture, lorandite (TlAsS2) converts into Pb-bearing lorandite (Tl1-xPbxAsS2) where x is a very small number. Having used a highly simplified cluster model of lorandite, we intended to calculate the electron density of Tl and its neighbouring atoms by the quantum chemical discrete variational method [5,6]. Substituting Pb for Tl in the lattice site of Tl and calculating the difference existing between these two clusters, we would like to discuss the possible changes of the cluster's stability and the relative binding between TlS and PbS in lorandite. © 1988.