Computational materials design of negative effective U system in hole-doped chalcopyrite CuFeS2

Journal of Physics Condensed Matter

Volumn 26, Issue 35, 2014, Pages

  Fukushima, T ^a   Katayama Yoshida, H ^a   Uede, H ^a   Takawashi, Y ^a   Nakanishi, A ^a   Sato, K ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

magnetism; negative effective U; superconductor

Indexed keywords

ATOMS; CALCULATIONS; DESIGN; ELECTRON-ELECTRON INTERACTIONS; ELECTRONIC STRUCTURE; EXCITED STATES; MAGNETISM; SUPERCONDUCTING MATERIALS;

AB-INITIO ELECTRONIC STRUCTURE CALCULATIONS; COMPUTATIONAL MATERIALS; ELECTRONIC CONFIGURATION; ELECTRONIC MECHANISMS; EXCHANGE-CORRELATIONS; GENERALIZED GRADIENT APPROXIMATIONS; SECOND ORDER PERTURBATION; STRONG-COUPLING REGIME;

SEMICONDUCTOR DOPING;

EID: 84906076424     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/26/35/355502     Document Type: Article

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