Program

P.67 -- Poster, NCTP-41

Date: Wednesday, 3 August 2016

Time: 08h30 - 10h00

Theoretical studies of energy band structure and density of state of Penta-Graphene

Vu Thanh Tra (1), Pham Thanh Thuy (2)

(1) Department of Physics, School of Education, Can Tho University, Can Tho Vietnam; (2) School of Graduate, College of natural sciences Can Tho University, Can Tho Vietnam Tel: 0916777386 Email address: vttra@ctu.edu.vn

Recently, a new carbon allotrope has been proposed, similar to graphene, which is called penta-graphene. State of the art theoretical calculations confirm that penta-graphene is a semiconductor and possesses an intrinsic quasi-direct band gap as large as 3.25 eV. In this paper, we use the tight-binding method to discuss about band structure and present an analytical solution to examine the band evolution of penta-graphene. We compare with the resulting band gap of penta-graphene when calculated by using HSE06 function, this shows that the suitable tight-binding hopping parameter is t=4.3623 and only one fitting is involved by choosing t'/t=0.2. This result shows feasibility in our models and also is the basis for subsequent studies. To probe the electronic properties of penta-graphene, we incorporate the use of the Green’s functions formalism to calculate density of state and transport characteristics of this material. The versatility of penta-graphene is expected to have broad applications in future, especially in nanoelectronics and nanomechanics. This reseach is funded by Vietnam National Foundation for Science and Technology Development (NAFOSTED) under grant number 103.01-2015.98

Presenter: Pham Thanh Thuy