Interface Magnetism in Vanadium-doped MoS$_2$/Graphene Heterostructures

Fuente: arXiv
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Autori principali: Dang, Diem Thi-Xuan, Pham, Yen Thi-Hai, Zhou, Da, Le, Dai-Nam, Terrones, Mauricio, Phan, Manh-Huong, Woods, Lilia M.
Natura: Preprint
Pubblicazione: 2025
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author Dang, Diem Thi-Xuan
Pham, Yen Thi-Hai
Zhou, Da
Le, Dai-Nam
Terrones, Mauricio
Phan, Manh-Huong
Woods, Lilia M.
author_facet Dang, Diem Thi-Xuan
Pham, Yen Thi-Hai
Zhou, Da
Le, Dai-Nam
Terrones, Mauricio
Phan, Manh-Huong
Woods, Lilia M.
contents Magnetism in two-dimensional materials is of great importance in discovering new physical phenomena and developing new devices at the nanoscale. In this paper, first-principles simulations are used to calculate the electronic and magnetic properties of heterostructures composed of Graphene and MoS$_2$ considering the influence of point defects and Vanadium doping. It is found that the concentration of the dopants and the types of defects can result in induced magnetic moments leading to ferromagnetically polarized systems with sharp interfaces. This provides a framework for interpreting the experimental observations of enhanced ferromagnetism in both MoS$_2$/Graphene and V-doped MoS$_2$/Graphene heterostructures. The computed electronic and spin polarizations give a microscopic understanding of the origin of ferromagnetism in these systems and illustrate how doping and defect engineering can lead to targeted property tunability. Our work has demonstrated that through defects engineering, ferromagnetism can be achieved in V-doped MoS$_2$/Graphene heterostructures, providing a potential way to induce magnetization in other TMDC/Graphene materials and opening new opportunities for their applications in nano-spintronics.
format Preprint
id arxiv_https___arxiv_org_abs_2504_18652
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Interface Magnetism in Vanadium-doped MoS$_2$/Graphene Heterostructures
Dang, Diem Thi-Xuan
Pham, Yen Thi-Hai
Zhou, Da
Le, Dai-Nam
Terrones, Mauricio
Phan, Manh-Huong
Woods, Lilia M.
Materials Science
Mesoscale and Nanoscale Physics
Applied Physics
Magnetism in two-dimensional materials is of great importance in discovering new physical phenomena and developing new devices at the nanoscale. In this paper, first-principles simulations are used to calculate the electronic and magnetic properties of heterostructures composed of Graphene and MoS$_2$ considering the influence of point defects and Vanadium doping. It is found that the concentration of the dopants and the types of defects can result in induced magnetic moments leading to ferromagnetically polarized systems with sharp interfaces. This provides a framework for interpreting the experimental observations of enhanced ferromagnetism in both MoS$_2$/Graphene and V-doped MoS$_2$/Graphene heterostructures. The computed electronic and spin polarizations give a microscopic understanding of the origin of ferromagnetism in these systems and illustrate how doping and defect engineering can lead to targeted property tunability. Our work has demonstrated that through defects engineering, ferromagnetism can be achieved in V-doped MoS$_2$/Graphene heterostructures, providing a potential way to induce magnetization in other TMDC/Graphene materials and opening new opportunities for their applications in nano-spintronics.
title Interface Magnetism in Vanadium-doped MoS$_2$/Graphene Heterostructures
topic Materials Science
Mesoscale and Nanoscale Physics
Applied Physics
url https://arxiv.org/abs/2504.18652