Confinement-Induced One-Dimensional Magnetism in CrSBr Chains via Carbon Nanotube Encapsulation

Abstract

Encapsulating low-dimensional magnetic materials within carbon nanotubes (CNTs) offers a compelling route to stabilize unconventional magnetic states and engineer quantum functionalities at the limit of miniaturization. In this work, we systematically investigate the structural, electronic, and magnetic properties of one-dimensional (1D) CrSBr chains encapsulated within CNTs using density functional theory (DFT) and spin dynamics simulations. We demonstrate the structural stability of CrSBr@CNT, where confinement and charge transfer cooperate to stabilize ferromagnetism in the 1D limit, which persists up to 50 K. These findings position CrSBr@CNT as a model platform for realizing 1D magnetism and establish CNT encapsulation as a powerful strategy for exploring emergent quantum spin phenomena and engineering nanoscale spintronic devices.