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Fig. 1. (Color online) Typical band structures, orbital projected density of states, and phase diagrams of BaOsO3 Hamiltonian with G-type antiferromagnetic order for (a) a/a0 = 1.00 (unstrained), (b) a/a0 = 0.95, and (c) a/a0 = 1.05. The band energies are computed with U = 2 eV, J = 0 eV, and N = 4. The bands are unfolded to restore the original periodicity, and the size of circles is proportional to the band weights. The phase diagram is colored by staggered magnetization, and the black bars indicate insulating phases.
New Phys.: Sae Mulli 2023;73:571~576 https://doi.org/10.3938/NPSM.73.571
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