Ab initio study on the electronic and magnetic properties of CaFe2As2 within a GGA + negative U approach

C.Z. Wang; F. Pei; G. Wang; K.M. Ho; L.Y. Chen; S. Wu; S.Y. Wang

arxiv: 0901.1575 · v2 · submitted 2009-01-12 · ❄️ cond-mat.supr-con · cond-mat.str-el

Ab initio study on the electronic and magnetic properties of CaFe2As2 within a GGA + negative U approach

S. Wu , G. Wang , F. Pei , S.Y. Wang , L.Y. Chen , C.Z. Wang , K.M. Ho This is my paper

classification ❄️ cond-mat.supr-con cond-mat.str-el

keywords approachauthorbeenc-valuecafe2as2electronicerrorfigure

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This paper has been withdrawn by the author due to the error in figure 2, we did not optimized c-value of the supercell, so the results can not give the true physics of this material.

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Ab initio study on the electronic and magnetic properties of CaFe2As2 within a GGA + negative U approach

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