Programme

P.6 -- Poster, VCTP-46

Date: Tuesday, 5 October 2021

Time: 08:30 - 10:00

Electric field as a novel switch to control the magnetization and optical absorption spectra of defect blue phosphorene thin-films

Nguyen Thi Bao Trang(1), Nguyen Vo Anh Duy(2), Minh Triet Dang(3,*), Van An Dinh(4)

(1) FPT Polytechnic Can Tho, No.288, Nguyen Van Linh Road, Can Tho City 900000, Vietnam. (2) Fschool Can Tho, No.600, Nguyen Van Cu Road, Can Tho City 900000, Vietnam. (3) School of Education, Can Tho University, 3-2 Road, Can Tho City 900000, Vietnam. (4) Department of Precision Engineering, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan.

Abstract. Improving the optical absorption coefficient is essential to enhance the light conversion efficiency of thin-film organic solar cells. Here we report the use of an external electric field as a novel switch to improve the optical absorption capacity of two-dimensional defect blue phosphorene (BlueP) systems. Using density functional theory (DFT) with van der Waals functionals, we performed theoretical investigation on structural, electronic, magnetic and optical absorption properties of a pristine and a single-vacancy (SV) BlueP thin film, and of a BlueP system absorbing a Vanadium adatom. We demonstrate that from a semiconductor material, a BlueP layer with a SV defect becomes half-metallic, and the absorption spectra under an electric field parallel to the material plane has been significantly enhanced in the ultra-violet region. More interestingly, when a Vanadium transition metal is absorbed on this system, the applied electric field perpendicular to the BlueP plane not only doubles the optical absorption coefficient, but also switches ON/OFF the magnetic moments of this system. The prominent red shift of the absorption spectra towards the visible light range under selected polarizied directions paves a novel way to engineer solar cell devices with a BlueP materials. Acknowledgements. This research is funded by the Vietnam National Foundation for Science and Technology Development (NAFOSTED) under grant number 103.01-2018.308. MTD acknowledges prof. P. Schall at the University of Amsterdam and dr. J. Oldenziel at Stichting Science International in the Netherlands for supporting a high-performance computing system. Presenter (application): Trang Thi Bao Nguyen (Master student)

Presenter: Nguyen Thi Bao Trang