Programme

P.14 -- Posters, VCTP-51

Date: Tuesday, 4 August 2026

Time: 09:30 - 10:30

Computational Design and Emergent Physical Characteristics of Novel 2D Janus Materials

Le Van Hung (1,2), Nguyen Van Chuong (3), Huynh Vinh Phuc (4), Pham Thiet Truong (4), Nguyen Thi Hiep (5), Nguyen Ngoc Hieu (5)

(1) Faculty of Physics, University of Education, Hue University, Hue, Viet Nam; (2) Le Quy Don High School for Gifted Students, Quang Tri, Viet Nam; (3) Department of Materials Science and Engineering, Le Quy Don Technical University, Ha Noi, Viet Nam; (4) Division of Physics, School of Education, Dong Thap University, Dong Thap, Viet Nam; (5) Institute of Research and Development, Duy Tan University, Da Nang, Viet Nam

The advent of two-dimensional (2D) Janus materials has significantly broadened the scope of multifunctional low-dimensional systems. By breaking out-of-plane mirror symmetry, these structures unlock distinct phenomena absent from standard van der Waals counterparts. In this presentation, we detail a density functional theory (DFT) investigation into the structural engineering and emergent behaviors of several novel Janus monolayers. We demonstrate how intrinsic electric fields and geometric asymmetry drive remarkable features, notably giant Rashba spin splitting, enhanced piezoelectric response, and highly tunable band structures. Additionally, we evaluate carrier transport dynamics and the influence of phonon scattering to assess device viability. Ultimately, our results establish a robust theoretical foundation for realizing next-generation electronics and spintronics. This research was funded by the Vietnam National Foundation for Science and Technology Development (NAFOSTED) under Grant No. 103.01-2024.14.

Presenter: Nguyen Ngoc Hieu