Abstract
The crystal structure and magnetic ordering pattern of PdAsO were investigated by neutron powder diffraction. While the magnetic structure of PdAsO is identical to that of its isostructural homologue NiAsO, its Néel temperature (140 K) is much higher than that of NiAsO (30 K). This is surprising in view of the long distance and indirect exchange path between the magnetic Pd ions. Density-functional calculations yield insight into the electronic structure and the geometry of the exchange-bond network of both PdAsO and NiAsO, and provide a semiquantitative explanation of the large amplitude difference between their primary exchange interaction parameters.
1 More- Received 27 January 2012
DOI:https://doi.org/10.1103/PhysRevB.85.115118
©2012 American Physical Society