Watch out electrons!: positron binding redefines chemical bonding in Be₂.

ABSTRACT: Positrons, the antiparticles of electrons, serve as unique probes for fundamental interactions and are crucial in diverse applications. We present a new mechanism in chemical bonding: the formation of a positron-driven bond that fundamentally alters electronic bonding interactions. Investigating the Be₂ dimer with Quantum Monte Carlo (QMC) simulations, we construct the potential energy curve of e⁺:Be₂. Our analysis reveals a significant energetic stabilization of the Be-Be bond upon positron attachment, a result that challenges conventional understanding. We show this stabilization arises from a novel, two-stage mechanism: at longer distances, a positron bond forms via internuclear positron accumulation, similar to that in positron-anion systems. How

SUBMITTER: Porras-Roldan R 

PROVIDER: S-EPMC12628274 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature