Programme

P.71 -- Poster, VCTP-45

Date: Wednesday, 14 October 2020

Time: 08:30 - 10:00

Online presentation

Feature-Rich Magnetic and Electronic Properties of Halogen-Doped Silicene

Vo Van On(1,*) and Nguyen Duy Khanh(2,3,*)

(1) Institute of Applied Technology - Thu Dau Mot University, Binh Duong province, Vietnam; (2) Advanced Institute of Materials Sciences, Ton Duc Thang University, Ho Chi Minh City, Vietnam; (3) Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City, Vietnam; (*) Corresponding at onvv@tdmu.edu.vn; nguyenduykhanh@tdtu.edu.vn

Feature-rich magnetic and electronic properties of halogen-doped silicene are studied by the first-principles calculations. The developed ab initio quantities include the atom-dominated band structures, spatial spin density distributions, spatial charge density distributions, and atom- and orbital-projected density of states that sufficiently identify similar and different features in the double-side and single-side adsorptions. The double-side adsorptions belong to the concentration-depended finite gap semiconductors or p-type metals, while the single-side adsorptions only present the p-type metals. Both adsorption types show the halogen-related weakly dispersed bands at deep energies, the adatom-modified middle-energy σ bands, and the recovery of low-energy π bands during the decrease of the halogen concentrations. Such developed ab initio quantities can be fully generalized to other layered materials.

Presenter: On Van Vo

Presentation file: