Article ID Journal Published Year Pages File Type
1516790 Journal of Physics and Chemistry of Solids 2011 5 Pages PDF
Abstract

By applying density functional theory, we find strong evidence for an itinerant nature of magnetism in two families of iron pnictides. Furthermore, by employing dynamical mean field theory with continuous time quantum Monte Carlo as an impurity solver, we observe that the antiferromagnetic metal with small magnetic moment naturally arises out of coupling between unfrustrated and frustrated bands. Our results point to a possible scenario for magnetism in iron pnictides where magnetism originates from a strong instability at the momentum vector (π,π,π)(π,π,π) while it is reduced by quantum fluctuations due to the coupling between weakly and strongly frustrated bands.

Related Topics
Physical Sciences and Engineering Materials Science Electronic, Optical and Magnetic Materials
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