Theoretical Exploration of Two-Dimensional Materials for Quantum Computing Applications

Abstract

In the burgeoning field of quantum computing, the search for scalable and efficient platforms is paramount. This study extends the groundbreaking research initiated by Hao, Lu, and Ting (2019), which focused on the use of graphene with carbon dimer defects for quantum computing, by undertaking a comprehensive theoretical exploration of additional two-dimensional (2D) materials. Specifically, our research scrutinizes transition metal dichalcogenides (TMDs), silicene, and phosphorene, evaluating their suitability for quantum computing infrastructures based on several critical parameters. These parameters include the materials’ inherent stability, their ability to maintain qubit coherence over time, and the feasibility of manipulating qubit states within these materials. Our approach combines sophisticated computational modeling and advanced theoretical analyses to probe the electronic structures, defect engineering potentials, and environmental stabilities of these 2D materials. By elucidating the unique properties that each material brings to the quantum computing arena, such as tunable electronic properties, extended coherence times, and enhanced manipulability, our findings aim to broaden the horizon of quantum computing materials beyond the conventional candidates. This research not only highlights the significant potential of TMDs, silicene, and phosphorene as promising substrates for quantum computing but also lays the groundwork for future experimental investigations. The insights gained from this study are expected to catalyze the development of more robust, scalable, and efficient quantum computing platforms, marking a significant leap forward in harnessing the power of quantum mechanics for computational purposes.