An ab initio model of electron transport in hematite (α-Fe2O3) basal planes

Journal of Chemical Physics

Volumn 118, Issue 14, 2003, Pages 6455-6466

  Rosso, Kevin M ^a   Smith, Dayle M A ^a   Dupuis, Michel ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ATOMS; CARRIER MOBILITY; CHEMICAL BONDS; CRYSTAL STRUCTURE; ELECTRON ENERGY LEVELS; ELECTRON TRANSPORT PROPERTIES; IRON; LATTICE CONSTANTS; MOLECULAR DYNAMICS; NUMERICAL ANALYSIS; OPTIMIZATION;

ADIABATIC ELECTRON TRANSFER; ELECTRON HOPPING; HEMATITE; LATTICE POLARIZATION; MAGNETIC STRUCTURE; MOLECULAR ORBITAL CALCULATION; REORGANIZATION ENERGY;

IRON OXIDES;

EID: 0037961570     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1558534     Document Type: Article

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