相关论文: Construction and Accuracy of Electronic Continuum …
The first-order continuum PDE model proposed by Bistritzer and MacDonald in \cite{bistritzer2011moire} accurately describes the single-particle electronic properties of twisted bilayer graphene (TBG) at small twist angles. In this paper, we…
We consider the problem of numerically computing the quantum dynamics of an electron in twisted bilayer graphene. The challenge is that atomic-scale models of the dynamics are aperiodic for generic twist angles because of the…
Momentum space transformations for incommensurate 2D electronic structure calculations are fundamental for reducing computational cost and for representing the data in a more physically motivating format, as exemplified in the…
The Bistritzer-MacDonald (BM) model, introduced in \cite{Bistritzer2011}, attempts to capture the electronic properties of twisted bilayer graphene (TBG), even at incommensurate twist angles, by an effective periodic model over the bilayer…
The Bistritzer-MacDonald continuum model (BM model) describes the low-energy moir\'e bands for twisted bilayer graphene (TBG) at small twist angles. We derive a generalized continuum model for TBG near any commensurate twist angle, which is…
In this paper, we extend the discrete-to-continuum procedure we developed in our previous work to derive a continuum variational model for a hexagonal twisted bilayer material in which one layer is fixed. We use a discrete energy containing…
The moir\'e superlattice system provides an excellent platform for exploring various novel quantum phenomena. To theoretically tackle the diverse correlated and topological states emerging from moir\'e superlattices, one usually adopts an…
Using the method developed in the companion paper, we construct the effective continuum theories for two different microscopic tight binding models of the twisted bilayer graphene at the twist angle of $1.05^\circ$, one Slater-Koster based…
The electric structure of twisted bilayer GeSe, which shows a rectangular moir\'{e} pattern, is analyzed using a $\bm{k}\cdot\bm{p}$ type effective continuum model. The effective model is constructed on the basis of the the local…
We provide a formal derivation of a reduced model for twisted bilayer graphene (TBG) from Density Functional Theory. Our derivation is based on a variational approximation of the TBG Kohn-Sham Hamiltonian and asymptotic limit techniques. In…
One- and two-dimensional bilayer systems are examples of ultra-tunable quantum materials that are considered as the basis for the new generation of electronic and photonic devices. Here we develop a general theory of the electron band…
We consider one-dimensional deterministic and random tight-binding Hamiltonians modeling electronic properties of twisted bilayer materials. When the twisted structure is incommensurate, we prove convergence of the density of states measure…
We study a 2D continuum model of electronic transport in twisted bilayer graphene (TBG) at commensurate angles. We use two honeycomb potentials with the symmetries of graphene, either sharing a common origin (AA stacking) or shifted by a…
We present a simple derivation of a continuum Hamiltonian for bilayer graphene with an arbitrary smooth lattice deformation -- technically in a fashion parametrized by displacement fields with small gradients. We show that this subsumes the…
Extended defects in crystals, such as dislocations, stacking faults and grain boundaries, play a crucial role in determining a wide variety of materials properties. Extended defects can also lead to novel electronic properties in…
We derive an {\em ab initio} $\pi$-band tight-binding model for $AB$ stacked bilayer graphene based on maximally localized Wannier wave functions (MLWFs) centered on the carbon sites, finding that both intralayer and interlayer hopping is…
Two-dimensional multi-layer materials with an induced moir\'e pattern, either due to strain or relative twist between layers, provide a versatile platform for exploring strongly correlated and topological electronic phenomena. While these…
Multilayer moir\'e materials can exhibit topological electronic features yet are inherently quasiperiodic -- leading to wave function interference whose Anderson-localizing tendency can be mitigated by topology. We consider a quasiperiodic…
It is well known that the classical energetically consistent micropolar model has limits in simulating the frequency band structure of packed granular materials (see Merkel et al., 2011). It is here shown that if a standard continualization…
We provide a systematic real space derivation of the continuum Hamiltonian for a graphene bilayer starting from a microscopic lattice theory, allowing for an arbitrary inhomogeneous smooth lattice deformation, including a twist. Two…