The defect equation in the Kroger-V

The defect equation in the Kroger-Vink notation for localized charge carrier is the following:

[V.sup.**.sub.O] + [1/2][O.sub.2] + 2[Fe.sup.x.sub.Fe] [left right arrow] [O.sup.x.sub.O] + 2[Fe.sup.*.sub.Fe] (4)

where [V.sup.**.sub.O] represents double charged oxygen vacancies, [O.sup.x.sub.O] is a double charged oxygen ion ([O.sup.2-]) in the crystal lattice sites O(1), O(2), and O(3). Finally, [Fe.sup.x.sub.Fe] and [Fe.sup.*.sub.Fe] denote the cations [Fe.sup.3+] and [Fe.sup.4+], respectively, in the Fe crystallographic sites.

[FIGURE 5 OMITTED]

[FIGURE 6 OMITTED]

For itinerant carriers the defect equation is:

[V.sup.**.sub.O] + [1/2][O.sub.2] + 2e' [left right arrow] [O.sup.x.sub.O] (5)

where e' represents an electron in the conduction band.

The partial molar properties [MATHEMATICAL EXPRESSION NOT REPRODUCIBLE IN ASCII] can be calculated from defect Eqs. 4 and 5 considering ideal mixing entropy, the crystal site balance and the charge neutrality condition. For localized charge carriers the expression for [MATHEMATICAL EXPRESSION NOT REPRODUCIBLE IN ASCII] is:

[MATHEMATICAL EXPRESSION NOT REPRODUCIBLE IN ASCII] (6)

where [s.sup.0.sub.V] and [s.sup.0.sub.Fe] are constants corresponding to the standard entropy of the oxygen and electronic defects and n is a parameter that takes different values depending on the oxygen crystal sites involved in the computation of the mixing entropy. Thus, n equals 0 for O(1), 4 for O(1) and O(3) and 6 for O(1), O(2) and O(3).

In this model both, the oxygen defects and the localized charge carriers, contribute to the partial molar entropy; contrary to the case of the defect Eq. 5 where only the oxygen defects contribute to [MATHEMATICAL EXPRESSION NOT REPRODUCIBLE IN ASCII].

Hasil (Bahasa Indonesia) 1:

The defect equation in the Kroger-Vink notation for localized charge carrier is the following:[V.sup.**.sub.O] + [1/2][O.sub.2] + 2[Fe.sup.x.sub.Fe] [left right arrow] [O.sup.x.sub.O] + 2[Fe.sup.*.sub.Fe] (4)where [V.sup.**.sub.O] represents double charged oxygen vacancies, [O.sup.x.sub.O] is a double charged oxygen ion ([O.sup.2-]) in the crystal lattice sites O(1), O(2), and O(3). Finally, [Fe.sup.x.sub.Fe] and [Fe.sup.*.sub.Fe] denote the cations [Fe.sup.3+] and [Fe.sup.4+], respectively, in the Fe crystallographic sites.[FIGURE 5 OMITTED][FIGURE 6 OMITTED]For itinerant carriers the defect equation is:[V.sup.**.sub.O] + [1/2][O.sub.2] + 2e' [left right arrow] [O.sup.x.sub.O] (5)where e' represents an electron in the conduction band.The partial molar properties [MATHEMATICAL EXPRESSION NOT REPRODUCIBLE IN ASCII] can be calculated from defect Eqs. 4 and 5 considering ideal mixing entropy, the crystal site balance and the charge neutrality condition. For localized charge carriers the expression for [MATHEMATICAL EXPRESSION NOT REPRODUCIBLE IN ASCII] is:[MATHEMATICAL EXPRESSION NOT REPRODUCIBLE IN ASCII] (6)where [s.sup.0.sub.V] and [s.sup.0.sub.Fe] are constants corresponding to the standard entropy of the oxygen and electronic defects and n is a parameter that takes different values depending on the oxygen crystal sites involved in the computation of the mixing entropy. Thus, n equals 0 for O(1), 4 for O(1) and O(3) and 6 for O(1), O(2) and O(3).Dalam model ini, Cacat oksigen maupun pembawa muatan lokal, berkontribusi molar entropi parsial; bertentangan dengan kasus Cacat EQ 5 mana hanya oksigen Cacat berkontribusi [ekspresi matematika tidak direproduksi dalam ASCII].