BaZrS3 Lights Up: The Interplay of Electrons, Photons, and Phonons in Strongly Luminescent Single Crystals
Published in Advanced Optical Materials, 2025
A joint experimental and computational investigation of the chalcogenide perovskite BaZrS3, connecting its strong luminescence to the underlying electronic structure and lattice dynamics. First-principles phonons and Raman spectra were computed with aiida-vibroscopy.
Recommended citation: R. S. Nielsen, A. L. Alvarez, Y. Tomm, G. Gurieva, A. Ortega-Guerrero, J. Breternitz, L. Bastonero, N. Marzari, C. A. Pignedoli, S. Schorr, and M. Dimitrievska, BaZrS3 Lights Up: The Interplay of Electrons, Photons, and Phonons in Strongly Luminescent Single Crystals, Adv. Opt. Mater. 13, 26 (2025).
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