LOMS.cz computational platform for high-throughput classical and combinatorial Judd-Ofelt analysis and rare-earth spectroscopy

. 2025 Aug 07 ; 15 (1) : 28945. [epub] 20250807

Status PubMed-not-MEDLINE Jazyk angličtina Země Velká Británie, Anglie Médium electronic

Typ dokumentu časopisecké články

Perzistentní odkaz   https://www.medvik.cz/link/pmid40774993

Grantová podpora
GA24-11361S Grantová Agentura České Republiky
24-10814S Grantová Agentura České Republiky

Odkazy

PubMed 40774993
PubMed Central PMC12331946
DOI 10.1038/s41598-025-13620-0
PII: 10.1038/s41598-025-13620-0
Knihovny.cz E-zdroje

We present LOMS.cz (Luminescence, Optical and Magneto-optical Software), an open-source computational platform that addresses the long-standing challenge of standardizing Judd-Ofelt (JO) calculations in rare-earth spectroscopy. Despite JO theory's six-decade history as the fundamental framework for understanding [Formula: see text] transitions, the field lacks standardized computational methodologies for precise and reproducible parameter determination. LOMS integrates three key innovations: (1) automated computation of JO parameters, transition probabilities, branching ratios, and theoretical radiative lifetimes, (2) a dynamically expanding database of experimentally validated parameters enabling direct comparison between computed and empirical results, and (3) a novel Combinatorial JO (C-JO) analysis algorithm that systematically identifies optimal absorption band combinations to ensure reliable parameter extraction. As a proof-of-concept, we demonstrate how this computational framework enables rapid screening of spectroscopic parameters, allowing researchers to predict optical properties with enhanced reliability. By combining automated analysis with experimental validation through its integrated database, LOMS.cz establishes a standardized platform for accelerating the discovery and optimization of rare-earth-based photonic and optoelectronic materials.

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