DEPENDENCY OF THERMO-PHYSICAL PROPERTIES ON SURFACE BONDING OF BN NANO-CRYSTAL

Abstract

In this paper we have studied the variation of normalized per-atom pair cohesive (binding) energy and melting temperature with size and number of atom-pairs in the BN nano-crystal by simple model approach. In small nano-particles, large proportions of their atoms reside either at or near the surface, and those in clusters are basically all on the surface. So, we have to study the surface configuration in detail that leads the constancy of the crystals. Even for bulk materials, parameters that ensure this constancy involving normalized cohesive energy, surface reconstruction, iconicity, bulk structure, hybridization and charge balance, melting point. It is worthwhile to say that many of these factors are quite interdependent. These all factors influence the whole cohesive energy of crystals and give important information about the deflections from inverse size dependence. The per-atom-pair binding energy and melting temperature of BN nano-crystal is a quadratic function of the inverse of the crystal size. The binding energy and melting temperature comes near their bulk value with increasing the crystal size and same as the bulk material when the crystal size is above than 100 nm.