Programme

P.92 -- Poster, VCTP-45

Date: Wednesday, 14 October 2020

Time: 08:30 - 10:00

Online presentation

Electronic properties of the pentagonal silicon dicarbide nanoribbons

Tran Yen Mi (1), Le Nhat Thanh (1,2), Ho Thi My (3), Vo Van On (4), and Nguyen Thanh Tien (1)

(1) Department of Physics, College of Natural Science, Can Tho University, (2) Tan Quoi High School, Binh Tan District, Vinh Long Province, (3) Nguyen Viet Hong High School, Ninh Kieu District, Can Tho City, (4) Institute of Applied Technology, Thu Dau Mot University, Binh Duong Province.

Structural stability and electronic properties of the pentagonal silicon dicarbide nanoribbons are theoretically studied by density functional theory (DFT). We evaluate the stability of the four nanoribbon structures cutting from pentagonal silicon dicarbide (p-SiC2) sheet. By comparing their energy formations, we figure out that p-SiC2 SSribbon (p-SiC2 SSNR) is the most stable and having indirect band gap. Electronic properties versus the ribbon width was studied by computing the band structure and density of state. With various width, LUMO and HOMO charge densities are restricted in edges. In particular, while HOMO charge densities are evenly distributed, LUMO ones mainly focus on the middle of SSribbon. We also investigated the electronic structures and the current–voltage (I–V) characteristics of the SSPGNRs under a sequence of uniaxial strains in range from 10% compression to 10% stretch. The value of the band gap of p-SiC2-SSNRs can be depicted as a parabola under uniaxial strain. Our calculations show that the current is monotonous increase with compressive strain at the same applied bias voltage. The results obtained from our calculations are beneficial to practical applications of these strained structures in p-SiC2-SSNRs-based electromechanical devices.

Presenter: Nguyen Thanh Tien

Presentation file: