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arXiv · 2404.01312

Note: Bridging Information Science: AB Initio Calculation Vortex of 2D Materials of Bismuthene(Bismuth Molecule) Graphene-Shaped through Kohn-Sham Equations

Yasuko Kawahata
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Abstract

This study delves into the intricate electronic and optical behaviors of two-dimensional (2D) honeycomb materials, such as Stannen, arsenene, antimonene, silicene, and bismuthene(bismuth molecule), through the lens of first-principles calculations(AB Initio Calculations) based on the Kohn-Sham equations. Focusing on the exchange-correlation potential approximations within the Density Functional Theory (DFT) framework, we evaluate the potential of these materials in digital information control and management. Special attention is given to the nonlinear optical responses and electronic properties under the influence of twisted bilayer configurations, external fields, and varying twist angles. The findings offer novel insights into the design of advanced digital devices, suggesting a transformative approach to information technology through the utilization of 2D honeycomb materials.

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Yasuko Kawahata. 2024-03-10. Note: Bridging Information Science: AB Initio Calculation Vortex of 2D Materials of Bismuthene(Bismuth Molecule) Graphene-Shaped through Kohn-Sham Equations. https://arxiv.org/abs/2404.01312

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