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

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Main Authors: López-Alcalá, Diego, Ruiz, Alberto M., Shumilin, Andrei, Baldoví, José J.
Format: Preprint
Published: 2025
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author López-Alcalá, Diego
Ruiz, Alberto M.
Shumilin, Andrei
Baldoví, José J.
author_facet López-Alcalá, Diego
Ruiz, Alberto M.
Shumilin, Andrei
Baldoví, José J.
contents 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.
format Preprint
id arxiv_https___arxiv_org_abs_2510_16142
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Confinement-Induced One-Dimensional Magnetism in CrSBr Chains via Carbon Nanotube Encapsulation
López-Alcalá, Diego
Ruiz, Alberto M.
Shumilin, Andrei
Baldoví, José J.
Materials Science
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.
title Confinement-Induced One-Dimensional Magnetism in CrSBr Chains via Carbon Nanotube Encapsulation
topic Materials Science
url https://arxiv.org/abs/2510.16142