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Magnetism of Ta Dichalcogenide Monolayers Tuned by Strain and Hydrogenation

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.

preprint2015arXivOpen access
Priyanka ManchandaVinit SharmaHongbin YuD. J. SellmyerRalph Skomski
cond-mat.mtrl-sci
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Priyanka ManchandaVinit SharmaHongbin YuD. J. SellmyerRalph Skomski

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