Related papers: Ab initio quantum embedding description of magic a…
Through extensive self-consistent Hartree-Fock calculations in a tight-binding model of twisted bilayer graphene (TBG), we show that many-body effects lead to a considerable increase of the bandwidth of the flat bands and, concomitantly, to…
We develop a model to describe the mixed valence regime in magic-angle twisted bilayer graphene (MATBG) using the recently developed heavy-fermion framework. By employing the large-$N$ slave-boson approach, we derive the self-consistent…
We report the first experimental study of the quantum interference correction to the conductivity of bilayer graphene. Low-field, positive magnetoconductivity due to the weak localisation effect is investigated at different carrier…
Magic-angle twisted bilayer graphene (MATBG) exhibits remarkable electronic properties under external magnetic fields, notably the emergence of flat Landau levels. In this study, we present a comprehensive analysis of MATBG's operational…
We propose a way of obtaining effective low energy Hubbard-like model Hamiltonians from ab initio Quantum Monte Carlo calculations for molecular and extended systems. The Hamiltonian parameters are fit to best match the ab initio two-body…
We formulate an ab initio downfolding scheme for electron-phonon coupled systems. In this scheme, we calculate partially renormalized phonon frequencies and electron-phonon coupling, which include the screening effects of high-energy…
Quantum Hall effects offer a formidable playground for the investigation of quantum transport phenomena. Edge modes can be detected, branched, and mixed by designing a suitable potential landscape in a two-dimensional conducting system…
Two-dimensional atomic crystals can radically change their properties in response to external influences such as substrate orientation or strain, resulting in essentially new materials in terms of the electronic structure. A striking…
Diverse emergent correlated electron phenomena have been observed in twisted graphene layers due to electronic interactions with the moir\'e superlattice potential. Many electronic structure predictions have been reported exploring this new…
Moir\'e superlattices in two-dimensional (2D) van der Waals (vdW) heterostructures provide 20 an efficient way to engineer electron band properties. The recent discovery of exotic quantum phases and their interplay in twisted bilayer…
Strongly correlated states are commonly emerged in twisted bilayer graphene (TBG) with magic-angle, where the electron-electron (e-e) interaction U becomes prominent relative to the small bandwidth W of the nearly flat band. However, the…
The dominance of Coulomb interactions over kinetic energy of electrons in narrow, non-trivial moir\'{e} bands of magic-angle twisted bilayer graphene (TBG) gives rise to a variety of correlated phases such as correlated insulators,…
Twisted bilayer graphene (TBG) represents a highly tunable, strongly correlated electron system owed to its unique flat electronic bands. However, understanding the single-particle band structure alone has been challenging due to complex…
The flat electronic bands in magic-angle twisted bilayer graphene (MATBG) host a variety of correlated insulating ground states, many of which are predicted to support charged excitations with topologically non-trivial spin and/or valley…
Magnetotransport of conventional semiconductor based double layer systems with barrier suppressed interlayer tunneling has been a rewarding subject due to the emergence of an interlayer coherent state that behaves as an excitonic…
This work theoretically explores how to emulate twisted double bilayer graphene with ultracold atoms in multiorbital optical lattices. In particular, the quadratic band touching of Bernal stacked bilayer graphene is emulated using a square…
We develop a method in which the electronic densities of small fragments determined by Kohn-Sham density functional theory (DFT) are embedded using stochastic DFT to form the exact density of the full system. The new method preserves the…
We present an accurate and efficient finite-difference formulation and parallel implementation of Kohn-Sham Density (Operator) Functional Theory (DFT) for non periodic systems embedded in a bulk environment. Specifically, employing…
Flat bands in graphene-based moir\'e structures host a wide range of emerging strongly correlated and topological phenomena. Optically probing and controlling them can reveal important information such as symmetry and dynamics, but have so…
We study the atomic structure of twisted bilayer graphene, with very small mismatch angles ($\theta \sim 0.28^0$), a topic of intense recent interest. We use simulations, in which we combine a recently presented semi-empirical potential for…