Magnetism of Ta Dichalcogenide Monolayers Tuned by Strain and Hydrogenation

TL;DR

This study explores how strain and hydrogenation influence the electronic and magnetic behaviors of Ta dichalcogenide monolayers, revealing potential for magnetic property control in advanced electronic applications.

Contribution

It demonstrates the ability to induce magnetic phase transitions and switch magnetic states through strain and hydrogenation in TaX2 monolayers, a novel approach for magnetic manipulation.

Findings

Strain causes magnetic phase transitions in TaX2 monolayers.

Hydrogenation can switch magnetic states to semiconducting.

Magnetic properties are tunable for spintronics applications.

Abstract

The effects of strain and hydrogenation on the electronic and magnetic properties of monolayers of Ta based dichalcogenides (TaX2; X = S, Se, Te) are investigated using density-functional theo-ry. We predict a complex scenario of strain-dependent magnetic phase transitions involving par-amagnetic, ferromagnetic, and modulated antiferromagnetic states. Covering one of the two chalcogenide surfaces with hydrogen switches the antiferromagnetic/nonmagnetic TaX2 mono-layers to a semiconductor. Our research opens new pathways towards the manipulation of mag-netic properties for future optoelectronics and spintronics applications.