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

Abstract

The crystal structure and magnetic ordering pattern of PdAs 2 O 6 were investigated by neutron powder diffraction. While the magnetic structure of PdAs 2 O 6 is identical to the one of its isostructural 3d-homologue NiAs 2 O 6 , its Néel temperature (140 K) is much higher than the one of NiAs 2 O 6 (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 PdAs 2 O 6 and NiAs 2 O 6 , and provide a semi-quantitative explanation of the large amplitude difference between their primary exchange interaction parameters.

Antiferromagnetism atT>500Kin the layered hexagonal ruthenateSrRu2O6Hiley1, Scanlon2, Sokol3 et al. 2015Phys. Rev. B503340View full textAdd to dashboardCite

“…Interestingly, threedimensional antiferromagnetic order in the layered PbSb 2 O 6 structure has also been seen for the materials AAs 2 O 6 , A = Mn, Co, Ni and Pd [43,44], with PdAs 2 O 6 showing a Néel temperature, T N of 140 K [45], but the magnetic ions here sit on the A-site of the structure, with greater interatomic separation from their magnetic neighbors than the B-site Ru in SrRu 2 O 6 . Our observation of high temperature, three-dimensional magnetic order in a twodimensional, semiconducting material provides a new and structurally distinct system for further study of magnetism and electronic structure in 4d oxides, with the possibility of preparation of doped or 5d analogues of SrRu 2 O 6 .…”

AgRuO3, a Strongly Exchange‐Coupled Honeycomb Compound Lacking Long‐Range Magnetic Order

“…[23][24][25][26][27] Recently,t he synthesis and characterization of SrRu 2 O 6 was reported. Family members hosting an open shell TM at the As ite have been reported before as MAs 2 O 6 ,M= Mn, Co, Ni, and Pd, [29][30][31] where PdAs 2 O 6 exhibits an appreciably high antiferromagnetic ordering temperature (T N )o f1 40 K. [30,31] SrRu 2 O 6 represents the first realization of this motif with an open shell TM located at the Bs ite;t hus developing a2 Dh oneycomb polyoxoanion. Family members hosting an open shell TM at the As ite have been reported before as MAs 2 O 6 ,M= Mn, Co, Ni, and Pd, [29][30][31] where PdAs 2 O 6 exhibits an appreciably high antiferromagnetic ordering temperature (T N )o f1 40 K. [30,31] SrRu 2 O 6 represents the first realization of this motif with an open shell TM located at the Bs ite;t hus developing a2 Dh oneycomb polyoxoanion.…”

“…This new ternary oxide belongs to the family of layered oxides AB 2 O 6 , adopting the PbSb 2 O 6 structure type. Family members hosting an open shell TM at the A site have been reported before as MAs 2 O 6 , M=Mn, Co, Ni, and Pd, where PdAs 2 O 6 exhibits an appreciably high antiferromagnetic ordering temperature ( T N ) of 140 K . SrRu 2 O 6 represents the first realization of this motif with an open shell TM located at the B site; thus developing a 2D honeycomb polyoxoanion.…”

The Fascinating World of Low-Dimensional Quantum Spin Systems: Ab Initio Modeling

“…The Wannier orbitals for − and − constructed with the NMTO-downfolding procedure of integrating out everything else other than the A orbitals (cf. the top right panel of Figure 13 ) highlighted the bending of O p tails of the functions to bond with the characters of the nearest As pairs [ 99 ]. This enables long-ranged interactions between A-A pairs, although there is no short-ranged interaction mediated by connected O atoms.…”