Ab initiostudy of low-temperature magnetic properties of double perovskiteSr2FeOsO6

Abstract

Using density-functional theory calculations, we investigated the electronic structure and magnetic exchange interactions of the ordered 3d-5d double perovskite Sr2FeOsO6, which has recently drawn attention for interesting antiferromagnetic transitions. Our study reveals the vital role played by long-range magnetic exchange interactions in this compound. The competition between the ferromagnetic nearest neighbor Os-O-Fe interaction and antiferromagnetic next nearest neighbor Os-O-Fe-O-Os interaction induces strong frustration in this system, which explains the lattice distortion and magnetic phase transitions observed in experiments.

Fragility of ferromagnetic double exchange interactions and pressure tuning of magnetism in3d−5ddouble perovskiteSr2FeOsO6

“…Experimental and theoretical reports on the nature of exchange interactions in Sr 2 FeOsO 6 have addressed the origin of AFM order in this structure at ambient pressure 27,28,33 . In fact, two different AFM configurations (AF1 and AF2, Fig.…”

Magnetically Frustrated Double Perovskites: Synthesis, Structural Properties, and Magnetic Order of Sr2BOsO6 (B = Y, In, Sc)

“…[21] Electronic structure calculations suggest [18,21,22] that the balance between the quite large number of competing interactions is easily modified by structural changes and in turn the ground state spin structure is altered. Further on, substantial spin orbit coupling for the 4d/5d elements may modify the magnetic properties.…”

Synthesis, crystal structures, and magnetic properties of double perovskites SrLaNiOsO6 and BaLaNiOsO6

“…In Sr 2 CrOsO 6 , the AF nearest-neighbor (NN) Cr 3 þ -Os 5 þ coupling is the dominant exchange interaction, which is much stronger than next-nearest-neighbor (NNN) Os 5 þ -Os 5 þ interaction [13,14], resulting a ferrimagnet with a highest T C among double perovskite oxides. Sr 2 FeOsO 6 displays the competing AF spin structures [10,11], which may be due to the competition between the NN Os 5 þ -Fe 3 þ interactions and NNN Os 5 þ -Os 5 þ interactions [15].…”