Electronic Structures of CaSiO3 Glass under Megabar Pressures: Ca L2,3-Edge and O K-Edge X-ray Raman Scattering.
4 affiliations
- 1Laboratory of Physics and Chemistry of Earth and Planetary Materials, School of Earth and Environmental Sciences, Seoul National University, Seoul08826, Korea.
- 2Research Institute of Basic Sciences, Seoul National University, Seoul08826, Korea.
- 3HPCAT, X-ray Science Division, Argonne National Laboratory, Lemont, Illinois60439, United States.
- 4Institute of Applied Physics, Seoul National University, Seoul08826, Korea.
Abstract
The extreme densification of silicate glasses above 100 GPa reorganizes chemical bonding around both the oxygen network and the network-modifying cations. These responses, however, have largely been probed separately, leaving their coupling during extreme densification unresolved. Here, we report the first O K-edge and Ca L2,3-edge X-ray Raman scattering measurements of CaSiO3 glass up to 120 GPa, providing element-specific access to the electronic structures under extreme compression. Enhanced oxygen proximity near 100 GPa raises the oxygen electronic states, whereas gradual Ca-O compaction shifts the calcium electronic states to lower energy through increased ligand-field interaction. Pressure-driven structural diversity and network distortion enhance electronic dispersion, broadening the oxygen and calcium density of states at megabar pressures. Comparison with O K-edge results for SiO2 and MgSiO3 glasses reveals that the larger ionic radius of Ca2+ suppresses the pressure-induced shift in electronic states near 100 GPa, highlighting how cation size controls electronic structures to evolve during extreme glass densification. These findings have implications for the stability of Ca-rich melts in planetary interiors and the design of mechanically strengthened glasses.
Related
- Low electrical conductivity of dry CaSiO3 perovskite under lower mantle conditions
- Spatial modelling of cetacean habitats and cumulative anthropogenic pressures in the Caribbean: implications for transboundary marine governance
- Baseflow separation combined with stratified sampling serving the accurate estimation of pollutant loads—the example of a small catchment with high anthropogenic pressures
- Spatiotemporal profiling of class 1 integrons and IncP-1 plasmids in an aquatic ecosystem heavily impacted by urban and industrial anthropic pressures
- Low-spin ferrous iron suppresses mantle oxidation beyond Earth-like pressures
BibTeX
@article{yi2026electronic,
title = {{Electronic Structures of CaSiO3 Glass under Megabar Pressures: Ca L2,3-Edge and O K-Edge X-ray Raman Scattering.}},
author = {Yoo Soo Yi and Yong-Hyun Kim and Shujia Li and Jae-Hyeon Parq and Jihun Lee and Yuming Xiao and Paul Chow and Guoyin Shen and Sung Keun Lee},
journal = {The journal of physical chemistry letters},
year = {2026},
month = oct,
doi = {10.1021/acs.jpclett.6c02748},
url = {https://europepmc.org/article/MED/42917162},
note = {CC BY-NC-ND},
}
RIS
TY - JOUR
TI - Electronic Structures of CaSiO3 Glass under Megabar Pressures: Ca L2,3-Edge and O K-Edge X-ray Raman Scattering.
AU - Yoo Soo Yi
AU - Yong-Hyun Kim
AU - Shujia Li
AU - Jae-Hyeon Parq
AU - Jihun Lee
AU - Yuming Xiao
AU - Paul Chow
AU - Guoyin Shen
AU - Sung Keun Lee
PY - 2026
DA - 2026/10/01
JO - The journal of physical chemistry letters
DO - 10.1021/acs.jpclett.6c02748
UR - https://europepmc.org/article/MED/42917162
AB - The extreme densification of silicate glasses above 100 GPa reorganizes chemical bonding around both the oxygen network and the network-modifying cations. These responses, however, have largely been probed separately, leaving their coupling during extreme densification unresolved. Here, we report the first O K-edge and Ca L2,3-edge X-ray Raman scattering measurements of CaSiO3 glass up to 120 GPa, providing element-specific access to the electronic structures under extreme compression. Enhanced oxygen proximity near 100 GPa raises the oxygen electronic states, whereas gradual Ca-O compaction shifts the calcium electronic states to lower energy through increased ligand-field interaction. Pressure-driven structural diversity and network distortion enhance electronic dispersion, broadening the oxygen and calcium density of states at megabar pressures. Comparison with O K-edge results for SiO2 and MgSiO3 glasses reveals that the larger ionic radius of Ca2+ suppresses the pressure-induced shift in electronic states near 100 GPa, highlighting how cation size controls electronic structures to evolve during extreme glass densification. These findings have implications for the stability of Ca-rich melts in planetary interiors and the design of mechanically strengthened glasses.
SN - 1948-7185
ER -