Journal
PHYSICAL REVIEW B
Volume 79, Issue 22, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.224524
Keywords
barium compounds; chromium compounds; density functional theory; doping; electrical resistivity; electronic structure; ferromagnetic materials; ground states; Hall effect; iron compounds; magnetic susceptibility; magnetic transitions; phase diagrams; solid-state phase transformations; specific heat; spin fluctuations; X-ray diffraction
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We investigate the physical properties and electronic structure upon Cr doping in the iron arsenide layers of BaFe2As2. This form of hole doping leads to suppression of the magnetic/structural phase transition in BaFe2-xCrxAs2 for x>0, but does not lead to superconductivity. For x < 0.75 values, temperature dependence of the resistivity, specific heat, magnetic susceptibility, Hall coefficient, and single-crystal x-ray diffraction data are presented. The resulting phase diagram is suggestive that superconductivity does not derive simply from the suppression of the structural/magnetic transitions. The materials show signatures of approaching a ferromagnetic state for x as little as 0.36 by an enhanced Wilson ratio. Such results reflect renormalization due to spin fluctuations and they are supported by density-functional supercell calculations for slightly higher doping level of x=1. Calculations show a strong interplay between magnetic ordering and chemical ordering of Fe and Cr, with a ferromagnetic ground state.
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