First-principles study of the structure of stoichiometric and Mn-deficient MnO2

Journal of Solid State Chemistry

Volumn 173, Issue 2, 2003, Pages 462-475

  Balachandran, D ^a   Morgan, D ^a   Ceder, G ^a   Van De Walle, A ^b  

^a Massachusetts Institute of Technology Cambridge   (United States)

^b Northwestern University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EXTRAPOLATION; GROUND STATE; HAMILTONIANS; MANGANESE COMPOUNDS; PROBABILITY DENSITY FUNCTION; PROTONS; STOICHIOMETRY;

MAGNETIC SPIN STATES;

MOLECULAR STRUCTURE;

MANGANESE DIOXIDE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; ELECTROCHEMISTRY; ENERGY; MAGNETISM; STOICHIOMETRY;

EID: 0038376681     PISSN: 00224596     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-4596(03)00023-9     Document Type: Article

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