Defect solid state chemistry of magnetoplumbite-structured ceramic oxides II: Defect energetics in LaMgAl sub 11 O sub 19

Journal Article · Mon Oct 01 04:00:00 EDT 1990 · Journal of Solid State Chemistry; (USA)

DOI:https://doi.org/10.1016/0022-4596(90)90252-S· OSTI ID:6085346

Xie, L; Cormack, A N ^[1]

---

1. Alfred Univ., NY (USA)

The defect solid state chemistry of LaMgAl{sub 11}O{sub 19} has been investigated using computer atomistic simulation techniques. The authors calculations show that intrinsic disorder in LaMgAl{sub 11}O{sub 19} is of Schottky type. Several defect reactions, proposed to explain the nonstoichiometry of LaMgAl{sub 11}O{sub 19}, have been modeled; the calculated energies predict that some are much more likely than others. They have also modeled some complexes which have been proposed to form between the spinel blocks in the magnetoplumbite structure. Results suggest that the nonstoichiometry of LaMgAl{sub 11}O{sub 19} may be attributed to these defect complexes which are found to be energetically stable. It is proposed that different complexes will dominate different regions of nonstoichiometry.

• OSTI ID: 6085346
• Journal Information: Journal of Solid State Chemistry; (USA), Journal Name: Journal of Solid State Chemistry; (USA) Vol. 88:2; ISSN JSSCB; ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360202* -- Ceramics
Cermets
& Refractories-- Structure & Phase Studies
ALKALINE EARTH METALS
ALUMINIUM COMPOUNDS
ALUMINIUM OXIDES
CALCULATION METHODS
CERAMICS
CHALCOGENIDES
COMPUTERIZED SIMULATION
CRYSTAL DEFECTS
CRYSTAL STRUCTURE
ELEMENTS
LANTHANUM
MAGNESIUM
METALS
OXIDES
OXYGEN COMPOUNDS
RARE EARTHS
SIMULATION
STRUCTURAL CHEMICAL ANALYSIS