Controlling the electronic properties of Gd: MoS2 monolayer with perpendicular electric field

Journal of Electroceramics - 2016
Abdul Majid1, Arslan Ullah1, Tahir Iqbal1, Usman Ali Rana2, Salah Ud-Din Khan2, Masato Yoshiya3
1Department of Physics, University of Gujrat, Gujrat, Pakistan
2Sustainable Energy Technologies Center, College of Engineering, King Saud University, Riyadh, Saudi Arabia
3Department of Adaptive Machine Systems, Osaka University, Osaka, Japan

Tóm tắt

A systematic computational study to demonstrate electric field dependence of electronic properties of Gd doped MoS2monolayer is being reported. Density functional theory (DFT) based calculated were performed using ADF-BAND package to investigate the effects of applied electric field on pure and Gd doped monolayer of MoS2using supercell approach. A detailed analysis of electric field dependence of host and dopant related states in the monolayers was carried out and discussed to explore the possible implications in devices. The findings on the basis of calculated results indicate that band gap of the monolayer decrease with increase in value of applied electric field. A model indicating this behaviour is also reported. It was further revealed that the formation energy of the monolayers exhibits a consistent decrease with increase in electric field.

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Journal of Electroceramics

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