Electronic structure of HgBa2Can-1Cu nO2n2 (n = 1, 2, 3) superconductor parent compounds from periodic hybrid density functional theory

Journal of Chemical Physics

Volumn 134, Issue 7, 2011, Pages

  Moreira, Ibério De P R ^a   Rivero, Pablo ^a   Illas, Francesc ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIFERROMAGNETIC GROUND STATE; ANTIFERROMAGNETIC ORDERS; CUPRATES; ENERGY RANGES; FERMI ENERGY; HIGH-T; HYBRID DENSITY FUNCTIONAL THEORY; INSULATING GAP; LOCALIZED SPIN; MAGNETIC CENTERS; PARENT COMPOUNDS; RESULTING MATERIALS; STRUCTURAL UNIT; UNIT CELLS;

ANTIFERROMAGNETIC MATERIALS; ANTIFERROMAGNETISM; CALCIUM; CHARGE TRANSFER; COPPER COMPOUNDS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ION EXCHANGE; MERCURY COMPOUNDS; SUPERCONDUCTING MATERIALS; SUPERCONDUCTIVITY;

DENSITY FUNCTIONAL THEORY;

EID: 79951892535     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3553259     Document Type: Article

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