摘要: The ruthenocuprate RuSr2GdCu2O8 orders magnetically at 135 K and then becomes superconducting 45 K. These transitions have been observed by several groups, but the intrinsically complex nature of compound, as well unexpected coexistence magnetism with high-temperature superconductivity, makes it uncertain what magnetic, electronic, structural character its ground state is. We find that density functional-based evaluations give a magnetic is consistent latest data: RuO6 octahedra rotate (by 7° around c^ axis) causing \(\sqrt 2 \times \sqrt \) doubling cell, an antiferromagnetic structure has this same cell favored over ferromagnetic alignment Ru spins. minority dxy states are partially occupied, leaving metallic RuO2 layer dopes CuO2 bilayer may lead to canting
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