Programme

P.13 -- Poster, VCTP-47

Date: Tuesday, 2 August 2022

Time: 08:30 - 10:00

Zn-doped configurations in Germanene nanoribbons in electric field: A DFT study

Hoang Van Ngoc

Thu Dau Mot University

Germanene nanoribbons (GeNRs) are one-dimensional materials with a narrow band gap, doping another element into GeNRs helps to create new materials. Electric fields also have an important role in controlling the electromagnetic properties of materials. The doping of Zn into GeNRs in a constant external electric field aims to create materials with larger bandgap as well as to create new materials. By using DFT theory and VASP software, five Zn-doped configurations in electric field are studied here. The configurations are optimized, durable and stable. Configuration 1-1 proved to be superior in terms of stability, doping replaces two Zn atoms and six Zn atoms for an opened band gap of about 0.5eV, with this band gap fully applicable. in a field transistor at room temperature.

Presenter: Hoang Van Ngoc