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Abstracts

Theoretical modeling and computational methods for luminescence phenomena

The importance of magnetic spectroscopy to understanding electronic structure of rare-earth ions in crystals and nanoparticles.

Michael F. Reid1, Jamin L. M.1, Jon-paul R. Wells1

1University of Canterbury, School of Physical and Chemical Sciences

E-mail: mike.reid@canterbury.ac.nz

The development of photonic technologies using rare-earth doped materials requires accurate modelling of electronic states. Many potential materials for quantum-information applications have low-symmetry sites, where measurements of electronic energy levels alone do not give enough information to obtain crystal-field fits. However, we have shown that measurements of magnetic splitting along several magnetic field directions provides the necessary information to obtain unique solutions. [1,2]. Nanocrystals doped with rare-earth (lanthanide) ions also have considerable potential for photonic technologies, from quantum computing to biomedical applications, including imaging, nano-thermometry, and photodynamic therapy. There has been recent interest in using magnetic fields to modulate energy transfer between lanthanide ions in nanocrystals to enhance these applications [4]. Making use of such magnetic field effects requires a better understanding of the magnetic splitting of rare-earth ions in nanocrystals. Though the particles are randomly oriented, we have recently shown that useful information may be obtained by Zeeman spectroscopy of rare-earth-doped nanoparticles [5] and this data provides a more accurate analysis of the electronic structure of the rare-earth ions in the nanoparticles than zero-field data. In this paper, we will discuss how magnetic splitting measurements can be used to provide the geometrical information essential to accurate crystal-field modelling in both bulk crystals and nanocrystals. We will discuss some outstanding issues and the potential for future improvements. References[1] S. P. Horvath, J. V. Rakonjac, Y.-H. Chen, J. J. Longdell, P. Goldner, J.-P. R. Wells, M. F. Reid, Phys. Rev. Lett. 123, 057401 (2019).[2] N. L. Jobbitt, J.-P. R. Wells, M. F. Reid, S. P. Horvath, P. Goldner, A. Ferrier, Phys. Rev. B 104, 155121 (2021)[3] Y. Alizadeh, J.-P. R. Wells, M. F. Reid, A. Ferrier, P. Goldner, J. Phys. Condensed Matter 35, 305502 (2023)[4] Y. Luo, Z. Chen, S. Wen, Q. Han, L. Fu, L. Yan, D. Jin, J.-C. G.Bünzli, G. Bao, Coordination Chemistry Reviews 469, 214653 (2022). [5] J. L. B. Martin, J.-P.R Wells, M.F. Reid, 15, 100181 Opt Mater. X. (2022).

Keywords: rare-earth, lanthanide, spectroscopy, magnetic, Zeeman

Acknowledgments:


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