First-principle electronic structure calculations for magnetic moment in iron-based superconductors: An LSDA + negative U study

Physica C: Superconductivity and its Applications

Volumn 469, Issue 15-20, 2009, Pages 908-911

  Nakamura, H ^a   Hayashi, N ^a,b   Nakai, N ^a,b   Okumura, M ^a,b   Machida, M ^a,b  

^a JAPAN ATOMIC ENERGY AGENCY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Fe oxypnictide; LSDA + U; Magnetic moment; Negative U; Superconductor

Indexed keywords

ELECTRONIC STRUCTURE CALCULATIONS; FE-OXYPNICTIDE; FIRST-PRINCIPLES; IRON-BASED; LSDA + U; NEGATIVE U; ORBITALS; SUPERCONDUCTOR;

ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; SOLID STATE PHYSICS; SUPERCONDUCTING MATERIALS; SUPERCONDUCTIVITY;

MAGNETIC MOMENTS;

EID: 68149141323     PISSN: 09214534     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physc.2009.05.096     Document Type: Article

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