Theoretical prediction of physical parameters of gE-tE-bI glassy alloys

Abstract

In the present paper we have theoretically predicted the physical parameters viz. coordination number, constraints, molar volume, fraction of floppy modes, number of lone pair electrons, bond energy, cohesive energy, heat of atomization and mean bond energy for Ge20Te80-xBix (x = 0, 5, 10, 15, 20, 25) glassy alloys. It has been found that average number of constraints, cohesive energy and mean bond energy increases whereas, all other parameters decrease with the increasing Bi content. The mean bond energy is calculated using the chemical bond approach of Tichy and Ticha and it was found to be proportional to the average coordination number r and number of lone pair electrons of the system.