Mechanical properties and cohesive energies of BiSeTe and BiSbTe

Abstract

Abstract The author studied the thermal and mechanical properties of bulk Bi2Se0.19Te2.94 and Bi0.35Sb1.50Te3, focusing on the estimation of cohesive energy using the potential energies of these materials based on their thermal and mechanical characteristics. By implementing the potential energy of a pair of atoms in the materials developed in two types of expression, the author found that the cohesive energies of Bi2Se0.19Te2.94 and Bi0.35Sb1.50Te3 are 2100 and 4200 kJ mol−1, respectively. By comparing the properties of NaCl and SiC, the author demonstrated that Bi2Se0.19Te2.94 is covalent and slightly ionic, whereas Bi0.35Sb1.50Te3 is strongly covalent.