Muon-spin relaxation investigation of magnetic bistability in a crystalline organic radical compound

Journal of Physics and Chemistry of Solids Elsevier 181 (2023) 111493

Authors:

A Hernandez-Melian, Bm Huddart, Fl Pratt, Sj Blundell, M Mills, Hks Young, Ke Preuss, T Lancaster

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.

DFT plus μ: Density functional theory for muon site determination

APPLIED PHYSICS REVIEWS AIP Publishing 10:2 (2023) 21316

Authors:

Sj Blundell, T Lancaster

Abstract:

The technique of muon spin rotation (μSR) has emerged in the last few decades as one of the most powerful methods of obtaining local magnetic information. To make the technique fully quantitative, it is necessary to have an accurate estimate of where inside the crystal structure the muon implants. This can be provided by density functional theory calculations using an approach that is termed as DFT + μ, density functional theory with the implanted muon included. This article reviews this approach, describes some recent successes in particular μSR experiments, and suggests some avenues for future exploration.

Magnetostriction-Driven Muon Localization in an Antiferromagnetic Oxide

(2023)

Authors:

Pietro Bonfà, Ifeanyi John Onuorah, Franz Lang, Iurii Timrov, Lorenzo Monacelli, Chennan Wang, Xiao Sun, Oleg Petracic, Giovanni Pizzi, Nicola Marzari, Stephen J Blundell, Roberto De Renzi

Band-filling-controlled magnetism from transition metal intercalation in $N_{1/3}$NbS$_2$ revealed with first-principles calculations

(2023)

Authors:

Z Hawkhead, TJ Hicken, NP Bentley, BM Huddart, SJ Clark, T Lancaster

Beyond single tetrahedron physics of the breathing pyrochlore compound Ba3Yb2Zn5O11

Physical Review B American Physical Society 107:14 (2023) L140408

Authors:

R Bag, Se Dissanayake, H Yan, Z Shi, D Graf, Es Choi, C Marjerrison, F Lang, T Lancaster, Y Qiu, W Chen, SJ Blundell, Ah Nevidomskyy, S Haravifard

Abstract:

Recently, a new class of quantum magnets, the so-called breathing pyrochlore spin systems, have attracted much attention due to their potential to host exotic emergent phenomena. Here, we present magnetometry, heat capacity, thermal conductivity, muon-spin relaxation, and polarized inelastic neutron scattering measurements performed on high-quality single crystal samples of the breathing pyrochlore compound Ba3Yb2Zn5O11. We interpret these results using a simplified toy model and provide insight into the low-energy physics of this system beyond the single tetrahedron physics proposed previously.