Novel correlation of Schottky constants with lattice energies for II–VI and I–VII compounds
| Autor: | Heribert Wiedemeier |
|---|---|
| Rok vydání: | 2010 |
| Předmět: |
Lattice energy
Valence (chemistry) Chemistry Enthalpy Schottky diode Crystal structure Condensed Matter Physics Standard enthalpy of formation Electronic Optical and Magnetic Materials Gibbs free energy Inorganic Chemistry symbols.namesake Vacancy defect Materials Chemistry Ceramics and Composites symbols Physical chemistry Physical and Theoretical Chemistry |
| Zdroj: | Journal of Solid State Chemistry. 183:2317-2323 |
| ISSN: | 0022-4596 |
| DOI: | 10.1016/j.jssc.2010.07.039 |
| Popis: | Correlations of computed Schottky constants ( K S = [ V ″ Zn ] [ V S · · ] ) with structural and thermodynamic properties showed linear dependences of log KS on the lattice energies for the Zn-, Cd-, Hg-, Mg-, and Sr-chalcogenides and for the Na- and K-halides. These findings suggest a basic relation between the Schottky constants and the lattice energies for these families of compounds from different parts of the Periodic Table, namely, Δ H T , L o =−(2.303nRT log KS)+2.303nRmb+2.303nRTib. Δ H T , L o is the experimental (Born–Haber) lattice energy (enthalpy), n is a constant approximately equal to the formal valence (charge) of the material, mb and ib are the slope and intercept, respectively, of the intercept b (of the log KS versus Δ H L o linear relation) versus the reciprocal temperature. The results of this work also provide an empirical correlation between the Gibbs free energy of vacancy formation and the lattice energy. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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