Electronic Structures of Iron in Oxide Glasses via 1s3p Resonant Inelastic X-ray Scattering

Kim, Yong-Hyun; Kim, Jungho; Lin, Jung-Fu; Lee, Sung Keun

doi:10.1021/acs.jpclett.4c03568

Title: Electronic Structures of Iron in Oxide Glasses via 1s3p Resonant Inelastic X-ray Scattering

Journal Article · 04 March 2025 · Journal of Physical Chemistry Letters

DOI: https://doi.org/10.1021/acs.jpclett.4c03568 · OSTI ID:2526673

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Seoul National Univ. (Korea, Republic of)
Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Univ. of Texas, Austin, TX (United States)

Electronic structures of iron in glasses are essential for unraveling the effect of transition metals on amorphous networks and controlling the electro-optical and transport properties of advanced glasses and amorphous energy-storing materials. The electronic configurations around iron in glasses, however, remain not well understood due to the structural disorders arising from multiple iron species with distinct valence, coordination, and spin states. Here, the first 1s3p resonant inelastic X-ray scattering (RIXS) for oxide glasses identifies hidden electronic configurations for Fe²⁺ and Fe³⁺ in amorphous networks. The results allow us to quantify the composition-induced evolution of oxygen ligand–field interactions of high-spin Fe 3d states with varying valence and coordination environments in complex glasses. The distinct electronic structures account for the electronic origins of iron-induced changes in the glass properties. The results offer prospects for a simultaneous probing of valence, coordination, and spin states of transition metals in diverse multicomponent oxide glasses and functional amorphous solids via 1s3p RIXS.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: National Research Foundation of Korea (NRF); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 2526673

Journal Information:: Journal of Physical Chemistry Letters, Journal Name: Journal of Physical Chemistry Letters Journal Issue: 10 Vol. 16; ISSN 1948-7185

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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