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Magnetism of Ta dichalcogenide monolayers tuned by strain and hydrogenation
2015
Applied Physics Letters
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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
doi:10.1063/1.4927286
fatcat:3zrixiuqmbbfboyyv6gfw2ntqa