[Paper Review] High-resolution spectroscopy of Pr3+ions in YAl3(BO3)4:Pr3+. Crystal-field, hyperfine,and electron-deformation interactions

B. Z. Malkin, T. A. Igolkina+4 more|arXiv (Cornell University)|Feb 6, 2026

Mineralogy and Gemology Studies0 citations

TL;DR

The paper reports high-resolution optical spectroscopy of Pr3+-doped YAl3(BO3)4, extracting crystal-field and hyperfine parameters using the exchange-charge model, and attributing zero-field line splittings to random lattice deformations alongside electron-deformation effects.

ABSTRACT

Optical transmission spectra of YAl3(BO3)4 crystals doped with the Pr3+ ions in concentrations 1 and 2.5 at. % were studied by high-resolution (up to 0.05 cm-1) Fourier spectroscopy, including in magnetic field parallel to the trigonal c axis of the crystal. The g factors of several crystal-field doublets of Pr3+ were determined. The crystal-field calculations performed using the exchange-charge model and high-resolution spectroscopy data allowed us to obtain a physically reasonable set of crystal-field parameters. The observed splitting of a number of doublets in zero magnetic field is explained by the presence of random lattice deformations. Simulation of the profiles of observed deformational doublets was carried out taking into account both hyperfine and electron-deformation interactions. The width of the distribution function of random strains was estimated. The main sources of random strains in YAl3(BO3)4:Pr3+ crystals are discussed.

Motivation & Objective

• Determine g factors for Pr3+ crystal-field doublets in YAl3(BO3)4.
• Obtain crystal-field parameters using high-resolution spectroscopy and the exchange-charge model.
• Explain zero-field doublet splittings via random lattice deformations.
• Model deformational line profiles including hyperfine and electron-deformation interactions.
• Estimate the distribution width of random strains and discuss main sources of strain.

Proposed method

• Perform high-resolution Fourier spectroscopy (resolution up to 0.05 cm-1) on Pr3+-doped YAl3(BO3)4 crystals.
• Apply magnetic field parallel to the trigonal c axis to measure g factors.
• Use exchange-charge model for crystal-field calculations and fit to spectroscopy data.
• Simulate deformational doublets by incorporating hyperfine and electron-deformation interactions.
• Estimate width of the random-strain distribution from spectral profiles.

Experimental results

Research questions

• RQ1 What are the crystal-field parameters for Pr3+ in YAl3(BO3)4 derived from high-resolution spectra?
• RQ2 What are the g factors of selected Pr3+ crystal-field doublets under a magnetic field along the c axis?
• RQ3 Can random lattice deformations account for observed zero-field doublet splittings, and what is the strain distribution width?
• RQ4 How do hyperfine and electron-deformation interactions influence deformational line profiles?
• RQ5 What are the main sources of random strains in YAl3(BO3)4:Pr3+ crystals?

Key findings

• g factors of several Pr3+ crystal-field doublets were determined.
• A physically reasonable set of crystal-field parameters was obtained using the exchange-charge model and spectroscopy data.
• Zero-field splittings are explained by random lattice deformations.
• Simulated deformational doublets agree with observed profiles when hyperfine and electron-deformation interactions are included.
• The width of the random-strain distribution was estimated and main strain sources in YAl3(BO3)4:Pr3+ discussed.