Screening of Coulomb Interactions in MoS2 Nanoribbons: Enhanced Coulomb interactions, Antiscreening, and Edge Magnetism
Abstract
MoS2 has attracted significant attention for its promising applications in optoelectronics, owing to the remarkable stability of its excitons and trions. These quasiparticles have large binding energies that arise from the MoS2 moderate band gap and the unconventional screening of Coulomb interactions in low dimensions. Here, we investigate the screening of long-range Coulomb interactions in the 1H and 1T' phases of MoS2 across different dimensionalities, with particular emphasis on nanoribbons. Our analysis is based on first-principles calculations combined with the constrained random-phase approximation. This work presents a comparative study of MoS2, h-BN, black phosphorene, and graphene nanoribbons, with emphasis on the role of Coulomb interactions in shaping their electronic and magnetic properties. In one-dimensional nanoribbons, quantum confinement leads to a substantial enhancement of Coulomb interactions relative to 2D MoS2. Calculations show that the Hubbard U increases from 2.6 eV in the 2D system to nearly 3.5 eV in the semiconducting nanoribbons. In these systems, the Coulomb interaction is long-ranged, with its tail extending over more than 100 A, nearly twice of that in the 2D structure. The presence of asymmetric edge states involving d and p orbitals in non-hydrogen-passivated zigzag MoS2 nanoribbons, in contrast to phosphorene, h-BN, and graphene nanoribbons, results in a finite net magnetization.
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BibTeX
@misc{montaghemi2026screening,
title = {{Screening of Coulomb Interactions in MoS2 Nanoribbons: Enhanced Coulomb interactions, Antiscreening, and Edge Magnetism}},
author = {A. Montaghemi and H. Hadipour and A. Khademi and A. Yazdani},
howpublished = {arXiv},
year = {2026},
month = sep,
doi = {10.48550/arxiv.2609.37547},
eprint = {2609.37547},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2609.37547},
note = {CC BY 4.0},
}
RIS
TY - UNPB
TI - Screening of Coulomb Interactions in MoS2 Nanoribbons: Enhanced Coulomb interactions, Antiscreening, and Edge Magnetism
AU - A. Montaghemi
AU - H. Hadipour
AU - A. Khademi
AU - A. Yazdani
PY - 2026
DA - 2026/09/29
PB - arXiv
DO - 10.48550/arxiv.2609.37547
UR - https://arxiv.org/abs/2609.37547
AB - MoS2 has attracted significant attention for its promising applications in optoelectronics, owing to the remarkable stability of its excitons and trions. These quasiparticles have large binding energies that arise from the MoS2 moderate band gap and the unconventional screening of Coulomb interactions in low dimensions. Here, we investigate the screening of long-range Coulomb interactions in the 1H and 1T' phases of MoS2 across different dimensionalities, with particular emphasis on nanoribbons. Our analysis is based on first-principles calculations combined with the constrained random-phase approximation. This work presents a comparative study of MoS2, h-BN, black phosphorene, and graphene nanoribbons, with emphasis on the role of Coulomb interactions in shaping their electronic and magnetic properties. In one-dimensional nanoribbons, quantum confinement leads to a substantial enhancement of Coulomb interactions relative to 2D MoS2. Calculations show that the Hubbard U increases from 2.6 eV in the 2D system to nearly 3.5 eV in the semiconducting nanoribbons. In these systems, the Coulomb interaction is long-ranged, with its tail extending over more than 100 A, nearly twice of that in the 2D structure. The presence of asymmetric edge states involving d and p orbitals in non-hydrogen-passivated zigzag MoS2 nanoribbons, in contrast to phosphorene, h-BN, and graphene nanoribbons, results in a finite net magnetization.
ER -