Correlation of Schottky constants with interatomic distances of selected I–VII and II–VI compounds

• Published in: Journal of solid state chemistry 2013-10, Vol.206, p.113-116
• Main Author: Wiedemeier, Heribert
• Format: Article
• Language: English
• Subjects: CHALCOGENIDES; Condensed matter: structure, mechanical and thermal properties; Correlation; CORRELATIONS; Defects and impurities in crystals; microstructure; DENSITY; Exact sciences and technology; HALIDES; II–VI Materials; INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; INTERATOMIC DISTANCES; IONIZATION; I–VII; Physics; Point defects (vacancies, interstitials, color centers, etc.) and defect clusters; SEMICONDUCTOR MATERIALS; SOLIDS; Structure of solids and liquids; crystallography; THERMAL EQUILIBRIUM; Vacancy densities
• ISSN: 0022-4596; 1095-726X
• DOI: 10.1016/j.jssc.2013.07.012

The observed linear (Na-, K-halides) and near-linear (Mg-, Sr-, Zn-, Cd-, and Hg-chalcogenides) dependences of Schottky constants on reciprocal interatomic distances yield the relation logKS=((ss1/T)+is)1/d(A−B)+(si1/T)+ii, where KS is the product of metal and non-metal thermal equilibrium vacancy concentrations, and ss, is, si and ii are the group specific slope and intercept values obtained from an extended analysis of the above logKS versus 1/d(A−B) data. The previously reported linear dependences of logKS on the Born–Haber lattice energies [1] are the basis for combining the earlier results [1] with the Born–Mayer lattice energy equation to yield a new thermodynamic relationship, namely logKS=−(2.303nRT)−1(c(B−M)/d(A−B)−Ie), where c(B−M) is the product of the constants of the Born–Mayer equation and Ie is the metal ionization energy of the above compounds. These results establish a correlation between point defect concentrations and basic thermodynamic, coulombic, and structural solid state properties for selected I–VII and II–VI semiconductor materials. [Display omitted]