Electronic and magnetic properties of Al-doped WS2 monolayer under strain. (27th July 2018)

• Record Type: Journal Article
• Authors: Luo, Min; Yin, Chentao
• Is Part Of: Ferroelectrics. Volume 531(2018)
• Page Start: 114
• Page End: 121
• Publication Date: 2018-07-27
• Subjects: WS2 monolayer -- nonmagnetic metal -- strain -- DFT calculations; Ferroelectricity -- Periodicals; Ferroelectric crystals -- Periodicals; 537
• DOI: 10.1080/00150193.2018.1497417
• Languages: English
• ISSNs: 0015-0193

Abstract

Abstract: Magnetic properties of Al-doped WS2 monolayer under strain are investigated by ab initio methods. Without strain, the Al-doped WS2 monolayer is a nonmagnetic nano material. We applied strain to Al-doped WS2 monolayer from –10% to 10%. Under tensile strain, ranging from 3% to 10%, the system always keeps nonmagnetic and changes from semiconductor to metal-like material. The magnetic moment gets a maximum value of 3.03 μB at –3% compressive strain. However, the magnetic moment of system decreases to zero gradually as the compressive strain increases. The coupling among the 3s states of Al, 5d states of W and 3p states of S is responsible for the strong strain effect on the magnetic properties. Our studies predict Al-doped WS2 monolayer under strain to be candidates for application in spintronics.