Ying Xu, Xiaofei Liu and Wanlin Guo.Tensile strain induced switching of magnetic states in NbSe2 and NbS2 single layers. Nanoscale, 2014, 6(21), 12929-12933

Nanoscale
Ying Xu et al 2014 Nanosacale 6(21),12929 doi: 10.1039/c4nr01486c

Tensile strain induced switching of magnetic states in NbSe2 and NbS2 single layers
Ying Xu, Xiaofei Liu and Wanlin Guo

wlguo@nuaa.edu.cn
State Key Laboratory of Mechanics and Control of Mechanical Structures, Key Laboratory for Intelligent Nano Materials and Devices of the Ministry of Education and Institute of Nanoscience, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, People's Republic of China

Dates
Issue 6(21) 2014
Received 1 8th March 2014,
Accepted 21st August 2014,
Published on 22 August 2014

Abstract

Two dimensional crystals, be fi tting nanoscale electronics and spintronics, can bene fit strain-tunable applications due to their ultrathin andflexible nature. We show by first-principles calculations that tensile strain can enhance the exchange splitting of spins in NbSe2 and NbS2 single layers. Particularly, a switch from antiferro- to ferro-magnetism is realized by strain engineering. Under strains lower than 4%, an anti-ferromagnetic state with opposite spins aligned on the next-nearest-neighbor rows of Nb atoms is favored in energy due to a superexchange interaction; with higher strains the ground state turns to be ferromagnetic with a double exchange origin. In contrast, the VSe2 and VS2 single layers, though with the same trigonal prismatic coordination, remain ferromagnetic even under compressive strains.

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