Tunable magnetism in bilayer transition metal dichalcogenides

Fuente: arXiv
Saved in:
Bibliographic Details
Main Authors: Qiao, Li-Ya, Jiang, Xiu-Cai, Ruan, Ze, Zhang, Yu-Zhong
Format: Preprint
Published: 2024
Subjects:
Online Access:
Tags: Add Tag
No Tags, Be the first to tag this record!
_version_ 1866914759661584384
author Qiao, Li-Ya
Jiang, Xiu-Cai
Ruan, Ze
Zhang, Yu-Zhong
author_facet Qiao, Li-Ya
Jiang, Xiu-Cai
Ruan, Ze
Zhang, Yu-Zhong
contents Twist between neighboring layers and variation of interlayer distance are two extra ways to control the physical properties of stacked two-dimensional van der Waals materials without alteration of chemical compositions or application of external fields, compared to their monolayer counterparts. In this work, we explored the dependence of the magnetic states of the untwisted and twisted bilayer 1T-VX$_2$ (X = S, Se) on the interlayer distance by density functional theory calculations. We find that, while a magnetic phase transition occurs from interlayer ferromagnetism to interlayer antiferromagnetism either as a function of decreasing interlayer distance for the untwisted bilayer 1T-VX$_2$ or after twist, richer magnetic phase transitions consecutively take place for the twisted bilayer 1T-VX$_2$ as interlayer distance is gradually reduced. Besides, the critical pressures for the phase transition are greatly reduced in twisted bilayer 1T-VX$_2$ compared with the untwisted case. We derived the Heisenberg model with intralayer and interlayer exchange couplings to comprehend the emergence of various magnetic states. Our results point out an easy access towards tunable two-dimensional magnets.
format Preprint
id arxiv_https___arxiv_org_abs_2404_11911
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Tunable magnetism in bilayer transition metal dichalcogenides
Qiao, Li-Ya
Jiang, Xiu-Cai
Ruan, Ze
Zhang, Yu-Zhong
Materials Science
Mesoscale and Nanoscale Physics
Strongly Correlated Electrons
Twist between neighboring layers and variation of interlayer distance are two extra ways to control the physical properties of stacked two-dimensional van der Waals materials without alteration of chemical compositions or application of external fields, compared to their monolayer counterparts. In this work, we explored the dependence of the magnetic states of the untwisted and twisted bilayer 1T-VX$_2$ (X = S, Se) on the interlayer distance by density functional theory calculations. We find that, while a magnetic phase transition occurs from interlayer ferromagnetism to interlayer antiferromagnetism either as a function of decreasing interlayer distance for the untwisted bilayer 1T-VX$_2$ or after twist, richer magnetic phase transitions consecutively take place for the twisted bilayer 1T-VX$_2$ as interlayer distance is gradually reduced. Besides, the critical pressures for the phase transition are greatly reduced in twisted bilayer 1T-VX$_2$ compared with the untwisted case. We derived the Heisenberg model with intralayer and interlayer exchange couplings to comprehend the emergence of various magnetic states. Our results point out an easy access towards tunable two-dimensional magnets.
title Tunable magnetism in bilayer transition metal dichalcogenides
topic Materials Science
Mesoscale and Nanoscale Physics
Strongly Correlated Electrons
url https://arxiv.org/abs/2404.11911