Table of contents
Base quantities, units, and symbols from the international system (IS) ..........1
Chapter 1 – Description of ionic crystals ............................................................7
Course notes ...........................................................................................................7
1.1 – Definitions .......................................................................................................7
1.1.1 – The perfect crystal ...............................................................................7
1.1.2 – The real crystal ....................................................................................7
1.1.3 – Structure elements and effective charge ..............................................8
1.2 – Reactions and equilibria ..................................................................................9
1.2.1 – Atomic disorder and electronic disorder..............................................9
1.2.2 – Writing the reactions..........................................................................10
1.2.3 – Presence of foreign atoms .................................................................10
1.2.4 – Equilibrium with the environment.....................................................11
1.3 – Brouwer diagram ...........................................................................................11
1.3.1 – Equilibria ...........................................................................................11
1.3.2 – Electroneutrality relation and the Brouwer approximation ...............12
1.3.3 – Diagram for MX 2 crystal ...................................................................13
1.3.4 – Case of solid solution (MX 2 ) 1−x (DX) x ..............................................13
1.4 – Stoichiometry and departure from stoichiometry ..........................................14
Exercises ..............................................................................................................15
Exercise 1.1 – Notation for structure elements and structure defects ....................15
Exercise 1.2 – Notation for doping reactions .........................................................16
Exercise 1.3 – Sitoneutrality and expression of chemical formulas .......................18
Exercise 1.4 – Calculation of defect concentrations...............................................18
Exercise 1.5 – Doping strontium fluoride ...............................................................18
Exercise 1.6 – Variation of the concentration of structure defects
in pure zirconium dioxide ZrO 2 as a function of oxygen partial pressure ...19
XI
Base quantities, units, and symbols from the international system (IS) ..........1
Chapter 1 – Description of ionic crystals ............................................................7
Course notes ...........................................................................................................7
1.1 – Definitions .......................................................................................................7
1.1.1 – The perfect crystal ...............................................................................7
1.1.2 – The real crystal ....................................................................................7
1.1.3 – Structure elements and effective charge ..............................................8
1.2 – Reactions and equilibria ..................................................................................9
1.2.1 – Atomic disorder and electronic disorder..............................................9
1.2.2 – Writing the reactions..........................................................................10
1.2.3 – Presence of foreign atoms .................................................................10
1.2.4 – Equilibrium with the environment.....................................................11
1.3 – Brouwer diagram ...........................................................................................11
1.3.1 – Equilibria ...........................................................................................11
1.3.2 – Electroneutrality relation and the Brouwer approximation ...............12
1.3.3 – Diagram for MX 2 crystal ...................................................................13
1.3.4 – Case of solid solution (MX 2 ) 1−x (DX) x ..............................................13
1.4 – Stoichiometry and departure from stoichiometry ..........................................14
Exercises ..............................................................................................................15
Exercise 1.1 – Notation for structure elements and structure defects ....................15
Exercise 1.2 – Notation for doping reactions .........................................................16
Exercise 1.3 – Sitoneutrality and expression of chemical formulas .......................18
Exercise 1.4 – Calculation of defect concentrations...............................................18
Exercise 1.5 – Doping strontium fluoride ...............................................................18
Exercise 1.6 – Variation of the concentration of structure defects
in pure zirconium dioxide ZrO 2 as a function of oxygen partial pressure ...19
XI