arXiv subjects

Pengfei Zhai

Publications and source records attributed to Pengfei Zhai.

3 recordsLinked to original sources

arXiv2026

A Neuroevolution Potential for Gallium Oxide: Accurate and Efficient Modeling of Polymorphism and Swift Heavy-Ion Irradiation

Gallium oxide (Ga2O3) is a wide-bandgap semiconductor with promising applications in high-power and high-frequency electronics. However, its complex polymorphic nature poses substantial challenges for fundamental studies, particularly in understanding phase-transformation behaviors under nonequilibrium conditions. Here, we develop a robust, accurate, and computationally efficient machine-learning interatomic potential (MLIP) for Ga2O3 based on the neuroevolution potential (NEP) framework combined with an energy-dependent weighting strategy. The resulting NEP potential demonstrates clear advantages over the state-of-the-art tabGAP potential with respect to both accuracy and computational efficiency. Furthermore, we introduce a physically process-oriented sampling strategy to systematically augment the training dataset, thereby enhancing the MLIP performance for targeted physical phenomena. As a representative application, a dedicated NEP potential is constructed for swift heavy-ion (SHI) irradiation simulations of \b{eta}-Ga2O3. The simulated results are in quantitative agreement with experimental observations and provide a consistent physical explanation for the reported experimental discrepancies regarding phase transformations in the ion track of \b{eta}-Ga2O3.

cond-mat.mtrl-sci↗

arXiv2024

Unveiling microstructural damage for leakage current degradation in SiC Schottky diode after heavy ions irradiation under 200 V

Single-event burnout and single-event leakage current (SELC) in SiC power devices induced by heavy ions severely limit their space application, and the underlying mechanism is still unclear. One fundamental problem is lack of high-resolution characterization of radiation damage in the irradiated SiC power devices, which is a crucial indicator of the related mechanism. In this letter, high-resolution transmission electron microscopy (TEM) was used to characterize the radiation damage in the 1437.6 MeV 181Ta-irradiated SiC junction barrier Schottky diode under 200 V. The amorphous radiation damage with about 52 nm in diameter and 121 nm in length at the Schottky metal (Ti)-semiconductor (SiC) interface was observed. More importantly, in the damage site the atomic mixing of Ti, Si, and C was identified by electron energy loss spectroscopy and high-angle annular dark-field scanning TEM. It indicates that the melting of the Ti-SiC interface induced by localized Joule heating is responsible for the amorphization and the formation of titanium silicide, titanium carbide, or ternary phases. These modifications at nanoscale in turn cause the localized degradation of the Schottky contact, resulting in the permanent increase in leakage current. This experimental study provides very valuable clues to thorough understanding of the SELC mechanism in SiC diode.

cond-mat.mtrl-sci↗

arXiv2019

Fine structure of swift heavy ion track in rutile TiO2

We report on the first observation of fine structure of latent tracks in rutile TiO2, which changes from cylinder to dumbbell-shape and then to sandglass-shape as a function of the ion path length. Based on inelastic thermal spike model, we show that Hagen-Poiseuille flow of molten phase produces the hillocks on surface and the void-rich zone near surface after epitaxial recrystallization due to material deficit, while at a deep depth, the lack of efficient outflow and recrystallization result in the absence of tracks. We propose that core-shell duration of transient molten phase induced by swift heavy ion and parabolic distribution of fluid velocity are radial-dependent. Moreover, the various morphologies of tracks are a consequence of the molten phase outflow and recrystallization during rapid cooling down. Our perspective provides a new interpretation in the track formation.

physics.app-ph↗