Fig. 4 | npj Quantum Materials

Fig. 4

From: Probing the reconstructed Fermi surface of antiferromagnetic BaFe2As2 in one domain

Fig. 4

Comparisons of data above and below TN with DFT. a Stitched ARPES measurements along the orthogonal high-symmetry axes (same data as Fig. 3b, c) and b equivalent measurements above TN. c DFT calculation in the AFM ground state, with band dispersions averaged along the kz axis to generate a spectral function. Note that in the experiments, the intensities are very different, since not all eigenvalues will have equal spectral weight in the magnetic phase, and also there are severe matrix element effects. Nevertheless, good correspondence can be seen for certain states, as labelled. Note that the starred states, labelled ε and κ, are found in LV polarisation in Fig. 3e. d Equivalent projection of DFT calculations in the tetragonal phase. e Calculated dispersion at kz = 0 only in the AFM phase, with orbital characters shown. Small circles note the bands which mainly contribute to the EDCs shown in Fig. 3d. f Calculated dispersions at kz = 0 in the orthorhombic phase. The orthorhombicity lowers the dxz/dyz degeneracy, especially noticeable at X as highlighted by the dashed ellipse

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