Searcharxiv⌕ Search

arXiv · 2610.39748

Direct Observation of Electron Trapping States in SiO$_2$ by Constant-Final-State Photoelectron Yield Spectroscopy: Insights into the Electron-Transfer Model of Contact Electrification

Abstract

Understanding electrostatic charging of silicon dioxide (SiO$_2$) is important for electrostatic control in a wide range of applications. Contact electrification (CE) is a major source of such charging, and electron transfer is considered one of its leading mechanisms. Several electron-transfer models have been proposed to explain CE; however, the density of states (DOS) involved in electron transfer has not been experimentally characterized. Determining this DOS is therefore essential for understanding the charging mechanism. However, measuring the DOS of insulating materials such as SiO$_2$ remains challenging: photoemission spectroscopy, the standard technique for probing the DOS of materials, is unsuitable for highly insulating materials because sample charging during measurement can cause spectral distortion or even complete signal loss. Here, we directly and quantitatively determined the in-gap DOS of amorphous SiO$_2$ using constant-final-state photoelectron yield spectroscopy (CFS-YS). Weak occupied states were observed within the band gap, and their marked increase after electron injection revealed that electron-trapping states are distributed over a broad energy range. Vacuum annealing markedly altered the in-gap DOS and electron-trapping behavior. The observed changes suggest a role for surface adsorbates, including water, in the charging behavior of SiO$_2$. Charging simulations based on the experimentally measured in-gap DOS approximately reproduced the previously reported charging behavior and showed that the accumulated charge was concentrated near the surface. These findings indicate that in-gap states distributed over a broad energy range mediate electron transfer during CE and highlight the importance of considering experimentally determined DOS when evaluating proposed electron-transfer models.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Renjiro Shibuya, Manato Tateno, Runa Hoshikawa, Tomohiro Ishibashi, Hirohiko Fukagawa, Hisao Ishii. 2026-10-29. Direct Observation of Electron Trapping States in SiO$_2$ by Constant-Final-State Photoelectron Yield Spectroscopy: Insights into the Electron-Transfer Model of Contact Electrification. https://arxiv.org/abs/2610.39748

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Dynamic Peach-Koehler self-force, inertia, and radiation damping of a regularized dislocation

The elastodynamic Peach-Koehler force is computed for a fully-regularized straight dislocation with isotropic core in continuum isotropic elastic elasticity, in compact forms involving partial mass or impulsion functions relative to shear and compressional waves. The force accounts for both dynamic radiation damping and inertia. The expressions are valid indifferently for subsonic or supersonic velocities. Results are compared with the case of a flat-core dislocation of the Peierls-Eshelby type, for a motion of jump from rest to constant velocity. In the steady-state limit, the Lagrangian function relevant to expressing the force in the flat-core case must be replaced by a related but different function for the regularized dislocation. However, by suitably defining the regularizing dislocation width, the steady-state limits of the force for the fully-regularized and flat-core dislocations can be matched exactly.

cond-mat.mtrl-sci↗

LightPFP: A Lightweight Route to Ab Initio Accuracy at Scale

Machine learning interatomic potentials (MLIPs) bridge the gap between quantum-mechanical accuracy and scalable molecular simulations. However, a fundamental trade-off persists: universal MLIPs (u-MLIPs) offer broad transferability but are computationally expensive, whereas task-specific MLIPs (ts-MLIPs) achieve high efficiency at the expense of costly DFT training data. Here we introduce LightPFP, a data-efficient knowledge distillation framework. Instead of relying on expensive DFT calculations, LightPFP constructs a distilled ts-MLIP by using a u-MLIP to generate high-quality, material-specific training data, while employing a pre-trained lightweight model to further improve data efficiency. Across diverse material systems, LightPFP reduces model development time by approximately three orders of magnitude compared with DFT-based workflows, while maintaining DFT-level accuracy. Combined with a LAMMPS/Kokkos inference backend, LightPFP achieves more than three orders of magnitude higher inference efficiency than u-MLIP baselines while enabling simulations of systems thousands of times larger. When the teacher exhibits systematic bias, LightPFP supports few-shot precision correction using as few as 10 high-accuracy DFT configurations, as demonstrated by reproducing MgO's experimental melting point. This u-MLIP-driven distillation establishes a scalable route to high-fidelity, data-efficient MLIPs, accelerating the pace of materials discovery and design.

cond-mat.mtrl-sci↗

First-order polarization process as an alternative to antiferroelectricity

Antiferroelectrics generate significant interest since their polarization versus electric field (P-E) curves show typical double-hysteresis loops appealing for various applications. Unfortunately, antiferroelectrics are rare. In magnetic compounds, magnetization versus magnetic field (M-H) curves can show analogous double hysteresis loops not only in antiferromagnets but also in systems exhibiting field-induced first-order reorientation of the magnetization through a so-called first-order magnetization process. Here, we show that appealing double-hysteresis P-E loops can also appear from an unprecedented first-order polarization process. Focusing on non-polar CaTiO3, which can be turned ferroelectric under tensile strain, we study epitaxial thin films on differently-oriented NdGaO3 substrates using a combination of theoretical and experimental techniques. We uncover that a certain configuration exhibits double-hysteresis P-E loops that we rationalize from a field-induced abrupt rotation of the polarization. Such a first-order polarization process establishes a promising alternative pathway to achieve double hysteresis P-E loops appealing for practical applications.

cond-mat.mtrl-sci↗