Programme

P.22 -- Poster, VCTP-44

Date: Tuesday, 30 July 2019

Time: 08:30 - 10:00

Band-gap Modulation of Sawtooth Penta-graphene Nanoribbons under Uniaxial Elastic Strain

Le Nhat Thanh (1,2), Tran Yen Mi (1), Le Vo Phuong Thuan (1), 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 E-mail: lnthanh54@gmail.com

The band-gap modulation of sawtooth penta-graphane nanoribbons (SSPGNRs) under uniaxial elastic strain is investigated with the density functional theory method. Our results predict that the band gap of SSPGNRs can be tuned monotonic with strain. The band gap tends to decrease remarkably in both cases of stretching or compression. The value of band gap decrease from 2.71 to 1.75 eV for compression strain and from 2.71 to 2.31 eV for stretching strain when the strain changes from −10.0% to 10.0%, respectively. Moreover, the band gap of the SSPGNRs is more sensitive to the compressive than tensile deformation, which mainly originates from the shift of its valence band edge under strain. Our calculated Young’s module of SSPGNR is quite smaller than that of the graphene nanoribbons. Our results imply the great potential of sawtooth penta-graphene nanoribbons in the pressure sensor and optical electronics applications at nanoscale.

Presenter: Thanh Nhật Lê