Rh2O3 versus IrO2: Relativistic effects and the stability of Ir4+

Journal of Physics Condensed Matter

Volumn 24, Issue 21, 2012, Pages

  Miao, M S ^a   Seshadri, R ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CORUNDUM; ELECTRONIC STRUCTURE; OXIDE MINERALS; RELATIVITY; RHODIUM; STABILITY;

D ORBITALS; FIRST PRINCIPLES ELECTRONIC STRUCTURE; MULTIPLE OXIDATION; OXIDATION STATE; RELATIVISTIC EFFECTS; WIDE-RANGING APPLICATIONS;

IRIDIUM;

IRIDIUM; IRIDIUM OXIDE; PERRHENIC ACID; RHENIUM;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; PHASE TRANSITION;

COMPUTER SIMULATION; IRIDIUM; MODELS, CHEMICAL; PHASE TRANSITION; RHENIUM;

EID: 84860623277     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/24/21/215503     Document Type: Article

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