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Magnetic State of Pyrochlore<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>Cd</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>Os</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="bold">O</mml:mi><mml:mn>7</mml:mn></mml:msub></mml:math>Emerging from Strong Competition of Ligand Distortions and Longer-Range Crystalline Anisotropy
By many-body quantum-chemical calculations, we investigate the role of two structural effects - local ligand distortions and the anisotropic Cd-ion coordination - on the magnetic state of Cd2Os2O7, a spin S=3/2 pyrochlore. We find that these effects strongly compete, rendering the magnetic interactions and ordering crucially depend on these geometrical …