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arxiv: 1204.0102 · v1 · pith:RIYUK4GJnew · submitted 2012-03-31 · ❄️ cond-mat.str-el

Magnetic properties of PdAs2O6: a dilute spin system with an unusually high N\'eel temperature

classification ❄️ cond-mat.str-el
keywords magneticpdas2o6nias2o6structureexchangetemperatureamplitudecalculations
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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 N\'{e}el 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.

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