Paper detail

Magnetic properties of PdAs2O6: a dilute spin system with an unusually high Néel temperature

The crystal structure and magnetic ordering pattern of PdAs2O6 were investigated by neutron powder diffraction. While the magnetic structure of PdAs2O6 is identical to the one of its isostructural 3d-homologue NiAs2O6, its Néel temperature (140 K) is much higher than the one of NiAs2O6 (30 K). This is surprising in view of the long distance and indirect exchange path between the magnetic Pd$^{2+}$ ions. Density functional calculations yield insight into the electronic structure and the geometry of the exchange-bond network of both PdAs2O6 and NiAs2O6, and provide a semi-quantitative explanation of the large amplitude difference between their primary exchange interaction parameters.