Journal
NANOSCALE
Volume 6, Issue 21, Pages 12929-12933Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c4nr01486c
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Funding
- 973 programs [2013CB932604, 2012CB933403]
- NSF of China [51472117]
- State Key Laboratory of Mechanics and Control of Mechanical Structures [0414K01]
- PAPD
- Funding of Jiangsu Innovation Program for Graduate Education [CXLX13_138]
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Two dimensional crystals, befitting nanoscale electronics and spintronics, can benefit strain-tunable applications due to their ultrathin and flexible 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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