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The used magnetic structures of : (a) SDW; (b) STR17; (c) stripe; (d) checkerboard; and (e) NM. Big balls (golden): Ba; small balls (grey): As; medium balls (red) with arrows pointing left: Fe with spin up; medium balls (cyan) with arrows pointing right: Fe with spin down. Fe atoms are shown as medium balls (white) for NM case.
The calculated GDOS for for the four magnetic structures [solid lines (black) in (a) SDW; (b) STR17; (c) stripe; and (d) checkerboard] in comparison to that for the NM structure [dotted-dashed line (blue)] together the measured GDOS by Zbiri et al. (Ref. 17) [small open circles connected by dotted line (black)] and Mittal et al. (Ref. 19) [small plus signs connected by dotted-dashed line (green)]. The netted shadows (red) show the calculated phonon energy gap for the corresponding magnetic structures.
The calculated specific heats [overlapped lines (black)] for for the four magnetic structures in comparison to that for the NM structure [dotted line (red)] together the measured data by Ni et al. (Ref. 23) (open circles), Sefat et al. (Ref. 24) (open squares), and Bud’ko et al. (Ref. 22) (solid diamonds). The inset shows the deduced Debye temperature by fitting the calculated lattice contribution to the specific heat with Debye formula (Ref. 1).
The calculated 0 K static properties of .
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