English

Spin-orbital entanglement in Cr$^{3+}$-doped glasses

Chemical Physics 2026-04-14 v2 Atomic Physics

Abstract

A framework for reconstructing the one-electron spinors, Γ7\Gamma_7 and Γ8\Gamma_8, of \ch{Cr^3+} ions embedded in glasses from optical measurements has been developed. These spinors provide the basis for calculating the spin-orbital von Neumann entropy, offering a quantitative measure of quantum entanglement within the electronic state. To illustrate the applicability of this concept, an aluminum phosphate glass doped with 1 mol%\% chromium was prepared and characterized via optical absorption spectroscopy. By extracting the fundamental electronic parameters, including the spin-orbit coupling constant ξ3d\xi_{\rm 3d}, the crystal field strength DqDq, and the Racah parameters BB and CC, we demonstrate how the spin-orbital entanglement entropy, ΔSvNSO\Delta S_{\rm vN}^{\rm SO}, can be mapped across different chemical environments. Our analysis reveals that while individual crystal field parameters do not dictate the degree of entanglement, the dimensionless ratio between the spin-orbit coupling and the crystal field strength (ξ3d/Dq\xi_{\rm 3d}/Dq) exhibits a robust linear correlation with the entropy. This relationship serves as a clear illustration of how the competition between relativistic effects and local symmetry governs the information content of the 3d(OhO_h) electronic manifold.

Keywords

Cite

@article{arxiv.2602.13892,
  title  = {Spin-orbital entanglement in Cr$^{3+}$-doped glasses},
  author = {J. S. Robles-Páez and A. T. Carreño-Santos and V. García-Rojas and J. F. Pérez-Torres},
  journal= {arXiv preprint arXiv:2602.13892},
  year   = {2026}
}