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Magnetism and magnetoelastic coupling in layered ruthenates

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2 Author(s)
Singh, David J. ; Center for Comput. Mater. Sci., Naval Res. Lab., Washington, DC, USA ; Mazin, I.I.

Various recent experimental investigations have identified the metallic bi-layer ruthenate Sr3Ru2O7 as a paramagnet near a ferromagnetic instability, a ferromagnet with TC above 100 K and a paramagnet with presumably antiferromagnetic ordering below 20 K. Here we present density functional investigations of the electronic structure and magnetic properties of this compound. We find quite strong magnetoelastic coupling so that the magnetic properties are highly sensitive to the crystal structure. With the initially reported tetragonal structure, we find Sr3Ru2O7 to be on the verge of a ferromagnetic Stoner instability. However, using a recent neutron refined orthorhombic structure, it becomes magnetic. We find strong in-plane ferromagnetic couplings of an itinerant nature

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Magnetics, IEEE Transactions on  (Volume:37 ,  Issue: 4 )