Character of magnetic instabilities in CaFe2As2

TitleCharacter of magnetic instabilities in CaFe2As2
Publication TypeJournal Article
Year of Publication2009
AuthorsSamolyuk GD, Antropov VP
Journal TitlePhysical Review B
Date Published02/01
ISBN Number1098-0121
Accession NumberISI:000263815400016
Keywordsantiferromagnetism, calcium compounds, density functional theory, frustration, high-temperature superconductors, iron compounds, magnetic susceptibility, metals, spin fluctuations

The density-functional spin susceptibility has been analyzed in different phases of CaFe2As2 and compared with similar data for pure d metals. The conditions for the "no local-moment" itinerant state with large frustrations are found for the "collapsed" phase. This itineracy determines the instability versus the incommensurate magnetic order for the narrow region of wave vectors. For the ambient pressure phase, the local moments on Fe atoms with much less frustrated antiferromagnetic interactions are stabilized and a magnetic short-range or long-range order is developed. The system is close to the point of magnetic instability and spin fluctuations should be included to describe properties of this system.

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