45th Vietnam Conference on Theoretical Physics (VCTP-45)
Hội nghị Vật lý lý thuyết Việt Nam lần thứ 45
Vĩnh Yên, 12-14 October, 2020

Programme

P.82 -- Poster, VCTP-45

Date: Wednesday, 14 October 2020

Time: 08:30 - 10:00

Online presentation

First-principles insight into the structural, electronic and optical properties of cadmium selenium nanocrystals

L.A Thi (1,2), T.V.N Hao (3), D.H Tung (4), D.Quang Tam (5), D.D Phuoc (6), MM Tan (7,2*), NM Hoa (5*)

(1) Institute of Research and Development, Duy Tan University, Da Nang 550000, Vietnam (2) Faculty of Natural Sciences, Duy Tan University, Da Nang 550000, Vietnam (3) Faculty of Physics, University of Education, Hue University, Hue 530000, Vietnam (4) Institute of Physics, Vietnam Academy of Science and Technology, Hanoi 100000, Vietnam (5) Faculty of Basic Sciences, Hue University of Medicine and Pharmacy, Hue University, Hue 530000, Vietnam (6) College of Education, Hue University, Hue 530000, Vietnam (7) Institute of Theoretical and Applied Research, Duy Tan University, Hanoi 100000, Vietnam

In this work, the structural, electronic, and optical properties of CdSe were studied using an ab initio calculation based on the generalized gradient approximation (GGA) method within the density functional theory. Geometrical optimization of the unit cell is in good agreement with our experimental data. The band-structure, density of states of the nanocrystals were presented. The results show that CdSe is a direct band gap with an estimated 0.63 eV. We also report our results dielectric functions and the refractive index (n) characterized. It is indicated that CdSe materials have excellent photoelectric properties potential applications in optoelectronic devices.

Presenter: Đỗ Quang Tâm

Presentation file:


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