Fischer, A., Klebl, L., Kennes, D. M., & Wehling, T. O. (2024). Supercell Wannier functions and a faithful low-energy model for Bernal bilayer graphene. arXiv:2407.02576v2 [cond-mat.mes-hall].
This study aims to develop a computationally efficient and accurate model for describing the low-energy physics of Bernal bilayer graphene (BBG) and related rhombohedral graphene multilayers, particularly at low electronic densities.
The researchers employ a supercell Wannier function (SWF) approach. They construct a superlattice structure for BBG, enabling the derivation of a minimal low-energy model from first-principles calculations (DFT). This method allows for a real-space representation of the system, capturing both atomic-scale and long-wavelength physics, unlike traditional continuum models.
The proposed SWF method offers a powerful tool for modeling the low-energy physics of BBG and similar small Fermi pocket systems. This approach bridges the gap between ab-initio calculations and continuum theories, enabling the accurate inclusion of electron-electron interactions and paving the way for first-principles modeling of correlated many-body physics in these materials.
This research provides a significant advancement in the theoretical understanding and modeling capabilities of BBG and related materials. The SWF approach offers a more complete and efficient method for studying the intricate electronic properties and emergent phenomena in these systems, potentially leading to the discovery and development of novel electronic devices.
While the study focuses on BBG, further research is needed to explore the applicability of the SWF approach to other small Fermi pocket systems. Additionally, investigating the impact of different interaction parameters and external fields on the low-energy physics of BBG using this method could provide further insights.
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by Ammon Fische... at arxiv.org 11-12-2024
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