Apparent discrepancies between thermodynamic data and theoretical calculations of the formation energy of an oxygen vacancy in silica

Solid State Communications

Volumn 98, Issue 6, 1996, Pages 485-487

  Boureau, G ^a   Carniato, S ^a  

^a SORBONNE UNIVERSITÉ   (France)

Author keywords

A. insulators; A. surfaces and interfaces; C. point defects; D. thermodynamic properties

Indexed keywords

ATOMS; CALCULATIONS; CRYSTALLINE MATERIALS; ELECTRIC INSULATORS; ESTIMATION; INTERFACES (MATERIALS); OXIDATION; POINT DEFECTS; SEMICONDUCTING SILICON; SILICA; SURFACES; THERMODYNAMIC PROPERTIES;

FORMATION ENERGY; HARTREE-FOCK EMBEDDED CLUSTER; ISOLATE CLUSTER METHOD; OXYGEN VACANCY; THERMODYNAMIC DATA;

OXYGEN;

EID: 0030151322     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/0038-1098(96)00148-2     Document Type: Article

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