Quantifying charge ordering by density functional theory: Fe 3O4 and CaFeO3

Chemical Physics Letters

Volumn 607, Issue , 2014, Pages 81-84

  Wang, Y ^a   Lee, S H ^a   Zhang, L A ^a   Shang, S L ^a   Chen, L Q ^a   Derecskei Kovacs, A ^b   Liu, Z K ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b AIR PRODUCTS AND CHEMICALS INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMISTRY; PHYSICAL CHEMISTRY;

BORN EFFECTIVE CHARGE; CHARGE ANALYSIS; CHARGE DISPROPORTIONATION; CHARGE ORDERING; CHARGE SEPARATIONS; FE-IONS;

SEPARATION;

EID: 84902353998     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2014.05.044     Document Type: Article

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