Programme

O.1 -- Oral, VCTP-50

Date: Monday, 4 August 2025

Time: 11:10 - 11:35

When a defect in materials is a good thing?

Ngoc Linh Nguyen [1], The Hung Dang [1], Tien Lam Pham [2] and Minh Hoa Nghiem [3]

[1] Faculty of Materials Science and Engineering, Phenikaa University. [2] Faculty of Computer Science, Phenikaa University. [3] Phenikaa Institute for Advanced Study, Phenikaa University.

Defects in materials play a crucial role in determining their physical and chemical properties. Understanding and engineering these defect structures provide an effective strategy for tailoring materials for a wide range of applications, including photocatalysis, light emission, and quantum computing. In this talk, I will present our recent studies [1,2] on defects in cubic boron nitride (c-BN) aimed at developing novel solid-state quantum bits (qubits). Using first-principles simulations, we designed potential qubit-related defects in c-BN and computed key parameters such as the zero-phonon line, zero-field splitting, and hyperfine interactions. Our results are benchmarked against both experimental data and previous theoretical studies. The insights gained from this work offer valuable guidance for the design and optimization of defect-based qubits in c-BN, contributing to the advancement of solid-state quantum technologies. References: [1] Ngoc Linh Nguyen, Computational Materials Science 246, 113388 (2025). [2] Ngoc Linh Nguyen, The Hung Dang, Tien Lam Pham, and Thi Minh Hoa Nghiem, Journal of Electronic Materials (2025); https://doi.org/10.1007/s11664-025-12066-4 Acknowledgments: This work is funded by Phenikaa University under grant number PU2024-4-A-01. All the calculations in this work are done at Phenikaa University’s HPC Systems.

Presenter: Nguyen Ngoc Linh