Structural and Thermal Properties of Elementary and Binary Tetrahedral Semiconductor Nanoparticles

Abstract

We report an equation free from fitting parameters as a direct calculation of size-dependent mean bond length for group IV and compounds from the III–V and II–VI binary groups. Size-dependent melting temperature and thermal expansion are also investigated for some materials forming the groups mentioned above. The empirical relation, which is obtained from fitting experimental data of melting enthalpy, is used to recalculate their values as well as entropy. The nanosize dependence of lattice thermal expansion for elements forming group IV is analyzed according to the hard sphere model, while mean ionicity is used for groups III–V and II–VI.