The role of ionicity in correlating Debye temperature, energy gap and bond potential in tetrahedral semiconductors and their nanoscale dependence

The relation between Debye temperature [Formula: see text] and energy gap [Formula: see text] for diamond-like structure semiconductors within groups IV, II-VI, III-V, I-III-VI2, II-IV-V2, III2-VI3 and I2-IV-VI3 was investigated. An empirical equation is obtained to find [Formula: see text] from that of [Formula: see text], for all compounds within the groups above. From the calculated [Formula: see text], bond potentials [Formula: see text] are investigated for all these compounds. Within the role of mean compound ionicity, and based on group IV elements and SiC, both [Formula: see text] and [Formula: see text] are calculated. [Formula: see text] related to [Formula: see text] in the form of [Formula: see text] as the fitting curve for groups IV and SiC, III-V and II-V were obtained and used to recalculate the potential energy for all these elementary and binary compounds, as well as compounds belonging to the above ternary groups and binary defects. In the end, bulk relations were modified to calculate the nanosize dependence of the bond potential for Si nanoparticles.