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Abstract:

We present the results of a muon-spin relaxation (μ+SR) investigation of the crystalline organic radical compound 4-(2-benzimidazolyl)-1,2,3,5-dithiadiazolyl (HbimDTDA), in which we demonstrate the hysteretic magnetic switching of the system that takes place at T=(274 ± 11)K caused by a structural phase transition. Muon-site analysis using electronic structure calculations suggests a range of candidate muon stopping sites. The sites are numerous and similar in energy but, significantly, differ between the two structural phases of the material. Despite the difference in the sites, the muon remains a faithful probe of the transition, revealing a dynamically-fluctuating magnetically disordered state in the low-temperature structural phase. In contrast, in the high temperature phase the relaxation is caused by static nuclear moments, with rapid electronic dynamics being motionally narrowed from the muon spectra.

Abstract:

The results of a muon spin rotation experiment on the layered oxyselenide Sr2CoO2Ag2Se2 are presented. The compound contains square-planar CoO2 layers and is found to exhibit a phase transition at 160.4(1) K to an antiferromagnetic configuration of the Co2+ ions. Density functional theory calculations were performed in order to determine the stopping site of the muon within the unit cell. The calculated magnetic dipole field at the muon stopping site was shown to be consistent with the proposed magnetic structure.