Ab initio thermodynamics of oxide surfaces: O2 on Fe 2O3(0001)

Physical Review B - Condensed Matter and Materials Physics

Volumn 69, Issue 19, 2004, Pages

  Bergermayer, Wolfgang ^a   Schweiger, Hannes ^a   Wimmer, Erich ^b,c  

^a Inst Sup des Mat du Mans   (France)

^b Materials Design Inc   (United States)

^c NONE

Author keywords

[No Author keywords available]

Indexed keywords

FERRIC OXIDE; OXIDE; OXYGEN;

AB INITIO CALCULATION; ACCELERATION; ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; ENERGY; FORCE; HYPERBARISM; LOW TEMPERATURE PROCEDURES; MATHEMATICAL ANALYSIS; MATHEMATICAL COMPUTING; MOLECULAR MODEL; MOLECULAR STABILITY; OXIDATION KINETICS; OXYGEN TENSION; POLARIZATION; PRESSURE MEASUREMENT; SIMULATION; STOICHIOMETRY; STRUCTURE ANALYSIS; SURFACE PROPERTY; SURFACE TENSION; TEMPERATURE DEPENDENCE; THERMODYNAMICS; THERMOSTABILITY;

EID: 37649026451     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.69.195409     Document Type: Article

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