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- W2903173600 abstract "In this work, the electronic, magnetic and optical properties of the vanadium doped WS2 monolayer (WS2V) by using the ab initio calculations are studied. The structure of the pure WS2 suggest a non-magnetic semiconductor with the energy gap of about 2eV. By absorbing the vanadium atom, the material becomes a half-metal with a complete magnetic polarization which has a spin-flip gap of 0.28eV in the down spin state. Vanadium doping induces a big magnetic moment to this structure. The greatest effect on changing the electronic properties of this case is due to d-orbitals of vanadium atoms. Thus, this material can be a good candidate for application in spintronic devices. In the next step, the optical properties of pure and vanadium doped WS2 monolayer are studied in the x and z directions (on the WS2 plane and perpendicular to it respectively). Our results show that at low frequencies, absorption of vanadium on WS2 monolayer in the x-direction has a metallic feature while in the z-direction, it is negligible with respect to the x-direction. Also, reflection in the x-direction is more than z-direction at low frequencies." @default.
- W2903173600 created "2018-12-11" @default.
- W2903173600 creator A5022137295 @default.
- W2903173600 creator A5062192887 @default.
- W2903173600 date "2019-03-01" @default.
- W2903173600 modified "2023-09-25" @default.
- W2903173600 title "The effects of vanadium absorbed by WS2 monolayer on the electronic, magnetic and optical properties: A first principle study" @default.
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- W2903173600 doi "https://doi.org/10.1016/j.cocom.2018.e00352" @default.
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