Abstract
We consider theoretically valence transformations of doping metal ions in oxide crystals induced by oxidation and reduction obtained by changes in the ambient oxygen partial pressure. Three types of oxygen vacancies are assumed to mediate transformations: neutral, singly ionized, and doubly ionized. We provide thermodynamic equilibrium analyses, yielding concentration relations among the oxygen vacancy, metal ions, holes and electrons as functions of the ambient oxygen pressure. The results suggest that experimental study of different species concentrations at thermodynamic equilibrium as functions of pressure and temperature should allow assessment of various reversible reaction constants controlling the process. In the Part II companion paper, the kinetic (diffusion) characteristics are considered in detail.
| Original language | English |
|---|---|
| Pages (from-to) | 512-517 |
| Number of pages | 6 |
| Journal | Journal of Physics and Chemistry of Solids |
| Volume | 75 |
| Issue number | 4 |
| DOIs | |
| State | Published - 1 Apr 2014 |
Keywords
- A. Oxides
- D. Color centers
- D. Defects
- D. Diffusion
- D. Optical properties
ASJC Scopus subject areas
- General Chemistry
- General Materials Science
- Condensed Matter Physics