Energetics of aluminum vacancies and incorporation of foreign trivalent ions in γ-Al2O3: An atomistic simulation study

Journal of the American Ceramic Society

Volumn 91, Issue 1, 2008, Pages 283-290

  Maglia, Filippo ^a   Gennari, Silvia ^a   Buscaglia, Vincenzo ^b  

^a UNIVERSITY OF PAVIA   (Italy)

^b CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; MOLECULAR MODELING; POSITIVE IONS; SOLUBILITY; THERMODYNAMIC STABILITY; VACANCIES;

ATOMISTIC SIMULATION; DEFECT SPINEL; OCTAHEDRAL VACANCIES; SOLUTION ENERGY;

ALUMINA;

EID: 37849036956     PISSN: 00027820     EISSN: 15512916     Source Type: Journal    
DOI: 10.1111/j.1551-2916.2007.02149.x     Document Type: Article

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