Interstitial Non-stoichiometric Compounds: Statistical Thermodynamic Approach to Interstitial Non-stoichiometric Compounds; Hydride, Carbide, Nitride, Phosphide, Sulfide

This monograph reviews the statistical thermodynamic analysis results for a range of non-stoichiometric interstitial compounds MXx including hydride, carbide, nitride, phosphide and sulfide undertaken under simplifying a priori assumption of constant nearest neighbour X-X interaction E(X-X) over homogeneity composition range at any given temperature. Although there is no first-principles-based justification for the employed a priori assumption, the acquired analysis results as a whole seemed to be rational. The present analysis results for ternary compounds showed certain trends of atom clustering around occupied interstitial site.