Publication Type : Conference Paper
Publisher : International Workshop on Physics of Semiconductor Devices, Springer
Source : International Workshop on Physics of Semiconductor Devices, Springer, Cham, pp. 49-56, February 2017
Url : https://link.springer.com/chapter/10.1007/978-3-319-97604-4_9
Campus : Chennai
School : School of Engineering
Department : Electronics and Communication
Year : 2017
Abstract : Structural and electronic properties of pristine and transition metal doped ZnS monolayer are investigated within the framework of density functional theory. The pristine ZnS monolayer is showing direct band gap of about 2.8 eV. The investigated transition metal doping showed the transition from non-magnetic semiconductor to a magnetic system e.g. magnetic semiconductor for Co doped ZnS and half metal for Ni doped ZnS monolayers. The Co doped ZnS monolayer showed higher formation energy, confirming the strong bonding than that of Ni doped ZnS monolayer. The electron difference density shows the charge sharing between transition metal (Ni and Co) and S, confirming the covalent bond formation.
Cite this Research Publication : R. Chaurasiya, and A. Dixit, Transition metal doped ZnS monolayer: The first principles insights, International Workshop on Physics of Semiconductor Devices, Springer, Cham, pp. 49-56, February 2017
