Mechanical properties and cohesive energies of BiSeTe and BiSbTe

Abstract

The author studied the thermal and mechanical properties of bulk Bi1.95Se0.18Te2.88 and Bi0.36Sb1.54Te3.09, and he focused on the estimation of cohesive energy using the potential energies of those 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 expressions, the author found that the cohesive energies of Bi1.95Se0.18Te2.88 and Bi0.36Sb1.54Te3.09 are 2100 and 4200 kJ/mol, respectively. By comparing the properties of NaCl and SiC, the author demonstrated that Bi1.95Se0.18Te2.88 is covalent and slightly ionic, whereas Bi0.36Sb1.54Te3.09 is strongly covalent.