Glass-forming ability and rigidity percolation in SeTePb lone-pair semiconductors

Abstract

Correlating the various physical parameters of known semiconductors and pointing the properties of new ones, a number of parameters have been employed recently with different levels of success. Taking this into account an attempt has been made to correlate the physical properties of Pb-doped Se–Te lone-pair semiconductors. The small band gap and large Bohr radius of lead (Pb) containing lone-pair semiconductors assist them with specific optical, electrical and thermal properties. The various physical parameters like number of constraints, lone pair of electron, heat of atomization, density, compactness, free volume percentage have been analyzed in terms of mean coordination number for (Se90Te10)100-xPbx (x = 0, 4, 8, 12, 16, 20, 24). The band gap for the compositions has been determined theoretically, and the obtained results are very well explained in terms of cohesive energy, electronegativity and average single bond energy.