Magnetism of Ta Dichalcogenide Monolayers Tuned by Strain and Hydrogenation

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.

13 pages, 5 figures

References in corpus (7)

• Restoring the density-gradient expansion for exchange in solids and surfaces
• Generalized gradient approximation for solids and their surfaces
• Bandgap Engineering of Strained Monolayer and Bilayer MoS2
• A tight-binding approach to uniaxial strain in graphene
• Magnetoelectric effects and valley controlled spin quantum gates in transition metal dichalcogenide bilayers
• Tuning Electronic and Magnetic Properties of Early Transition Metal Dichalcogenides via Tensile Strain
• Magnetism of Ta Dichalcogenide Monolayers Tuned by Strain and Hydrogenation

Cited by in corpus (5)

• Band Gap Engineering with Ultralarge Biaxial Strains in Suspended Monolayer MoS2
• Strain-Based Room-Temperature Non-Volatile MoTe${}_2$ Ferroelectric Phase Change Transistor
• Strain-controlled switch between ferromagnetism and antiferromagnetism in 1T-CrX2 (X = Se, Te) monolayers
• Magnetism of Ta Dichalcogenide Monolayers Tuned by Strain and Hydrogenation
• Strain Controlled Magnetic and Optical Properties of Monolayer 2H-TaSe${}_2$